Molecule Summary:

ID: FYI-1000962
SMILES: CCCc1ccccc1NCC(C)c1ccc(N[SH](C)(=O)Nc2cccnc2C(N)=O)cn1

Received at FYIcenter.com on: 2021-08-19

Molecule Structure Displayed in 2D:

Molecule Structure SDF File:

FYI-1000962
FYIcenter.com

 33 35  0  0  0  0  0  0  0  0999 V2000
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5497    3.6876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  4  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 19  2  0  0  0  0
 22 19  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 28 23  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 29  2  0  0  0  0
 32 17  1  0  0  0  0
 33 32  2  0  0  0  0
 33 14  1  0  0  0  0
M  END
$$$$

Molecule Structure SVG File:

<?xml version="1.0" standalone="no"?><!DOCTYPE svg PUBLIC "-//W3C//DTD SVG 1.1//EN" "http://www.w3.org/Graphics/SVG/1.1/DTD/svg11.dtd"><svg width="100%" height="100%" version="1.1" xmlns="http://www.w3.org/2000/svg"><g id='0' transform='scale(1) translate(0,0) scale(1)'><line x1="385.36707874151" x2="366.29303374636" y1="345.05909895506" y2="334.04727916405" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #000000" />
<line x1="366.29303374636" x2="347.21898875121" y1="334.04727916405" y2="323.03545937304" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #000000" />
<line x1="423.51202249757" x2="404.43955061954" y1="323.03545937304" y2="334.04727916405" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #000000" />
<line x1="404.43955061954" x2="385.36707874151" y1="334.04727916405" y2="345.05909895506" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #000000" />
<line x1="461.66011248787" x2="442.58606749272" y1="345.05909895506" y2="334.04727916405" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #000000" />
<line x1="442.58606749272" x2="423.51202249757" y1="334.04727916405" y2="323.03545937304" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #000000" />
<line x1="499" x2="480" y1="322" y2="333" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #000000" />
<line x1="480" x2="461" y1="333" y2="344" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #000000" />
<line x1="501" x2="482" y1="326" y2="337" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #000000" />
<line x1="482" x2="463" y1="337" y2="348" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #000000" />
<line x1="537.95" x2="518.87752812197" y1="345.05909895506" y2="334.04727916405" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #000000" />
<line x1="518.87752812197" x2="499.80505624393" y1="334.04727916405" y2="323.03545937304" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #000000" />
<line x1="541" x2="541" y1="390" y2="368" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #000000" />
<line x1="541" x2="541" y1="368" y2="346" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #000000" />
<line x1="536" x2="536" y1="390" y2="368" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #000000" />
<line x1="536" x2="536" y1="368" y2="346" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #000000" />
<line x1="499.80505624393" x2="518.87752812197" y1="411.13001770114" y2="400.11819791012" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #000000" />
<line x1="518.87752812197" x2="537.95" y1="400.11819791012" y2="389.10637811911" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #000000" />
<line x1="461" x2="480" y1="392" y2="403" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #000000" />
<line x1="480" x2="499" y1="403" y2="414" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #000000" />
<line x1="463" x2="482" y1="388" y2="399" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #000000" />
<line x1="482" x2="501" y1="399" y2="410" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #000000" />
<line x1="461.66011248787" x2="461.66011248787" y1="389.10637811911" y2="367.08273853709" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #000000" />
<line x1="461.66011248787" x2="461.66011248787" y1="367.08273853709" y2="345.05909895506" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #000000" />
<line x1="423.51202249757" x2="442.58606749272" y1="411.13001770114" y2="400.11819791012" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #0000ff" />
<line x1="442.58606749272" x2="461.66011248787" y1="400.11819791012" y2="389.10637811911" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #000000" />
<line x1="385.36707874151" x2="404.43955061954" y1="389.10637811911" y2="400.11819791012" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #000000" />
<line x1="404.43955061954" x2="423.51202249757" y1="400.11819791012" y2="411.13001770114" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #0000ff" />
<line x1="347.21898875121" x2="366.29303374636" y1="411.13001770114" y2="400.11819791012" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #000000" />
<line x1="366.29303374636" x2="385.36707874151" y1="400.11819791012" y2="389.10637811911" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #000000" />
<line x1="347.21898875121" x2="347.21898875121" y1="455.17729686519" y2="433.15365728316" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #000000" />
<line x1="347.21898875121" x2="347.21898875121" y1="433.15365728316" y2="411.13001770114" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #000000" />
<line x1="309.07404499515" x2="328.14651687318" y1="389.10637811911" y2="400.11819791012" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #000000" />
<line x1="328.14651687318" x2="347.21898875121" y1="400.11819791012" y2="411.13001770114" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #000000" />
<line x1="273" x2="292" y1="414" y2="403" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #000000" />
<line x1="292" x2="311" y1="403" y2="392" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #000000" />
<line x1="270" x2="289" y1="410" y2="399" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #000000" />
<line x1="289" x2="308" y1="399" y2="388" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #000000" />
<line x1="232.78101124879" x2="251.85505624393" y1="389.10637811911" y2="400.11819791012" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #000000" />
<line x1="251.85505624393" x2="270.92910123908" y1="400.11819791012" y2="411.13001770114" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #000000" />
<line x1="231" x2="231" y1="346" y2="368" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #000000" />
<line x1="231" x2="231" y1="368" y2="390" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #000000" />
<line x1="236" x2="236" y1="346" y2="368" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #000000" />
<line x1="236" x2="236" y1="368" y2="390" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #000000" />
<line x1="194.63606749272" x2="213.70853937075" y1="323.03545937304" y2="334.04727916405" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #0000ff" />
<line x1="213.70853937075" x2="232.78101124879" y1="334.04727916405" y2="345.05909895506" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #000000" />
<line x1="194.63606749272" x2="194.63606749272" y1="278.98818020899" y2="301.01181979101" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #c8aa1a" />
<line x1="194.63606749272" x2="194.63606749272" y1="301.01181979101" y2="323.03545937304" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #0000ff" />
<line x1="216.65656084052" x2="205.64631416662" y1="240.84323645292" y2="259.91570833095" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #000000" />
<line x1="205.64631416662" x2="194.63606749272" y1="259.91570833095" y2="278.98818020899" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #c8aa1a" />
<line x1="239" x2="217" y1="277" y2="277" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #ff0000" />
<line x1="217" x2="195" y1="277" y2="277" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #c8aa1a" />
<line x1="239" x2="217" y1="282" y2="282" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #ff0000" />
<line x1="217" x2="195" y1="282" y2="282" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #c8aa1a" />
<line x1="156.48797750243" x2="175.56202249757" y1="256.96454062696" y2="267.97636041798" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #0000ff" />
<line x1="175.56202249757" x2="194.63606749272" y1="267.97636041798" y2="278.98818020899" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #c8aa1a" />
<line x1="156.48797750243" x2="156.48797750243" y1="212.91726146291" y2="234.94090104494" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #000000" />
<line x1="156.48797750243" x2="156.48797750243" y1="234.94090104494" y2="256.96454062696" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #0000ff" />
<line x1="194" x2="175" y1="189" y2="200" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #000000" />
<line x1="175" x2="156" y1="200" y2="211" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #000000" />
<line x1="196" x2="177" y1="193" y2="204" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #000000" />
<line x1="177" x2="158" y1="204" y2="215" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #000000" />
<line x1="194.63606749272" x2="194.63606749272" y1="146.84634271684" y2="168.86998229886" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #000000" />
<line x1="194.63606749272" x2="194.63606749272" y1="168.86998229886" y2="190.89362188089" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #000000" />
<line x1="156" x2="175" y1="127" y2="138" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #000000" />
<line x1="175" x2="194" y1="138" y2="149" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #000000" />
<line x1="158" x2="177" y1="123" y2="134" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #000000" />
<line x1="177" x2="196" y1="134" y2="145" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #000000" />
<line x1="118.34303374636" x2="137.41550562439" y1="146.84634271684" y2="135.83452292583" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #0000ff" />
<line x1="137.41550562439" x2="156.48797750243" y1="135.83452292583" y2="124.82270313481" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #000000" />
<line x1="121" x2="121" y1="191" y2="169" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #000000" />
<line x1="121" x2="121" y1="169" y2="147" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #0000ff" />
<line x1="117" x2="117" y1="191" y2="169" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #000000" />
<line x1="117" x2="117" y1="169" y2="147" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #0000ff" />
<line x1="118.34303374636" x2="137.41550562439" y1="190.89362188089" y2="201.9054416719" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #000000" />
<line x1="137.41550562439" x2="156.48797750243" y1="201.9054416719" y2="212.91726146291" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #000000" />
<line x1="80.198089990293" x2="99.270561868326" y1="212.91726146291" y2="201.9054416719" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #000000" />
<line x1="99.270561868326" x2="118.34303374636" y1="201.9054416719" y2="190.89362188089" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #000000" />
<line x1="42.05" x2="61.124044995146" y1="190.89362188089" y2="201.9054416719" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #0000ff" />
<line x1="61.124044995146" x2="80.198089990293" y1="201.9054416719" y2="212.91726146291" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #000000" />
<line x1="83" x2="83" y1="257" y2="235" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #ff0000" />
<line x1="83" x2="83" y1="235" y2="213" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #000000" />
<line x1="78" x2="78" y1="257" y2="235" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #ff0000" />
<line x1="78" x2="78" y1="235" y2="213" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #000000" />
<line x1="270.92910123908" x2="251.85505624393" y1="323.03545937304" y2="334.04727916405" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #000000" />
<line x1="251.85505624393" x2="232.78101124879" y1="334.04727916405" y2="345.05909895506" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #000000" />
<line x1="311" x2="292" y1="344" y2="333" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #0000ff" />
<line x1="292" x2="273" y1="333" y2="322" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #000000" />
<line x1="308" x2="289" y1="348" y2="337" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #0000ff" />
<line x1="289" x2="270" y1="337" y2="326" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #000000" />
<line x1="309.07404499515" x2="309.07404499515" y1="345.05909895506" y2="367.08273853709" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #0000ff" />
<line x1="309.07404499515" x2="309.07404499515" y1="367.08273853709" y2="389.10637811911" style="stroke-opacity:1; stroke-width: 1.8546294350283; stroke: #000000" />
<ellipse cx="423.51202249757" cy="411.13001770114" rx="12.055091327684" ry="12.055091327684" fill-opacity="1" style="fill:#ffffff"/>
<text fill-opacity="1" id="TextElement" transform="rotate(0)" x="423.51202249757" y="421.33047959379"  fill="#0000ff" style="text-anchor:middle;  font-family:sans-serif;font-size:23.182867937853px">N</text>
<ellipse cx="194.63606749272" cy="323.03545937304" rx="12.055091327684" ry="12.055091327684" fill-opacity="1" style="fill:#ffffff"/>
<text fill-opacity="1" id="TextElement" transform="rotate(0)" x="194.63606749272" y="333.23592126569"  fill="#0000ff" style="text-anchor:middle;  font-family:sans-serif;font-size:23.182867937853px">N</text>
<ellipse cx="194.63606749272" cy="278.98818020899" rx="12.055091327684" ry="12.055091327684" fill-opacity="1" style="fill:#ffffff"/>
<text fill-opacity="1" id="TextElement" transform="rotate(0)" x="194.63606749272" y="289.18864210164"  fill="#c8aa1a" style="text-anchor:middle;  font-family:sans-serif;font-size:23.182867937853px">S</text>
<ellipse cx="238.68020042254" cy="278.98818020899" rx="12.055091327684" ry="12.055091327684" fill-opacity="1" style="fill:#ffffff"/>
<text fill-opacity="1" id="TextElement" transform="rotate(0)" x="238.68020042254" y="289.18864210164"  fill="#ff0000" style="text-anchor:middle;  font-family:sans-serif;font-size:23.182867937853px">O</text>
<ellipse cx="156.48797750243" cy="256.96454062696" rx="12.055091327684" ry="12.055091327684" fill-opacity="1" style="fill:#ffffff"/>
<text fill-opacity="1" id="TextElement" transform="rotate(0)" x="156.48797750243" y="267.16500251962"  fill="#0000ff" style="text-anchor:middle;  font-family:sans-serif;font-size:23.182867937853px">N</text>
<ellipse cx="118.34303374636" cy="146.84634271684" rx="12.055091327684" ry="12.055091327684" fill-opacity="1" style="fill:#ffffff"/>
<text fill-opacity="1" id="TextElement" transform="rotate(0)" x="118.34303374636" y="157.04680460949"  fill="#0000ff" style="text-anchor:middle;  font-family:sans-serif;font-size:23.182867937853px">N</text>
<ellipse cx="42.05" cy="190.89362188089" rx="12.055091327684" ry="12.055091327684" fill-opacity="1" style="fill:#ffffff"/>
<text fill-opacity="1" id="TextElement" transform="rotate(0)" x="42.05" y="201.09408377354"  fill="#0000ff" style="text-anchor:middle;  font-family:sans-serif;font-size:23.182867937853px">N</text>
<ellipse cx="80.198089990293" cy="256.96454062696" rx="12.055091327684" ry="12.055091327684" fill-opacity="1" style="fill:#ffffff"/>
<text fill-opacity="1" id="TextElement" transform="rotate(0)" x="80.198089990293" y="267.16500251962"  fill="#ff0000" style="text-anchor:middle;  font-family:sans-serif;font-size:23.182867937853px">O</text>
<ellipse cx="309.07404499515" cy="345.05909895506" rx="12.055091327684" ry="12.055091327684" fill-opacity="1" style="fill:#ffffff"/>
<text fill-opacity="1" id="TextElement" transform="rotate(0)" x="309.07404499515" y="355.25956084772"  fill="#0000ff" style="text-anchor:middle;  font-family:sans-serif;font-size:23.182867937853px">N</text>
</g></svg>