Molecule FYI-1006819

A

Molecule Summary:

ID: FYI-1006819
Names:
InChIKey: ZFWXZSIBWCCMOS-UHFFFAOYSA-N
SMILES: CN(C)CCSCCn4ccc3ccn(Cc2cccc(Oc1ccccc1)c2)c3c4=O

Received at FYIcenter.com on: 2024-01-18

Molecule ID: FYI-1006819 Edit

Molecule Structure InChIKey: ZFWXZSIBWCCMOS-UHFFFAOYSA-N

Molecule Structure SMILES String: CN(C)CCSCCn4ccc3ccn(Cc2cccc(Oc1ccccc1)c2)c3c4=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1006819
FYIcenter.com

 32 35  0  0  0  0  0  0  0  0999 V2000
    9.6994    1.5778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    2.9778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.6778    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.9778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.6778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.9778    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.6778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.9778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.6778    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.0778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.0778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    5.7778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    5.0778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    3.6778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2434    3.2452    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6760    1.9137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0453    1.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4781    0.2912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8474    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7841    1.0405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3515    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2884    3.4123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8557    4.7437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7925    5.7842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3599    7.1158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9905    7.4068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0537    6.3663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4863    5.0349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9822    2.6631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0663    4.3778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2434    5.5104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
 12  3  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 15  2  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 29 24  1  0  0  0  0
 30 22  2  0  0  0  0
 30 18  1  0  0  0  0
 31 16  1  0  0  0  0
 32 31  2  0  0  0  0
 32 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006819-3D
FYIcenter.com

 61 64  0  0  0  0  0  0  0  0999 V2000
    3.1076    4.7702    0.0573 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5474    4.9774   -0.1333 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7723    5.9896   -1.1645 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1576    5.3486    1.1576 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6829    5.5233    1.1300 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3592    5.9148    2.7858 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.8988    4.4063    3.7164 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4859    3.0913    3.1813 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9479    3.0744    3.1144 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6771    3.1521    4.3051 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0164    3.1913    4.3176 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7318    3.1637    3.0928 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1047    3.2195    2.8149 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2155    3.1874    1.4408 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9494    3.1516    0.8918 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6797    3.2353   -0.5405 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5457    4.6746   -0.9766 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2857    5.2723   -1.1084 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1742    6.6355   -1.3891 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3197    7.4072   -1.5867 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5786    6.8118   -1.5334 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6594    7.6351   -1.7761 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7788    7.0782   -2.3542 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7143    6.2166   -3.4537 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8796    5.6298   -3.9459 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1112    5.9362   -3.3674 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1821    6.8510   -2.3156 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0157    7.4309   -1.8143 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6906    5.4596   -1.1904 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0263    3.0834    1.9092 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5783    2.9918    1.8467 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9574    2.8411    0.8005 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6335    4.4491   -0.8761 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6051    5.6795    0.4075 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9265    3.9753    0.7900 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2645    5.7096   -2.0943 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8350    6.0659   -1.4158 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4117    6.9778   -0.8583 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9182    4.5374    1.8529 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6920    6.2620    1.5503 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9617    6.3642    0.4876 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1762    4.6375    0.7257 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8083    4.3356    3.7710 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2306    4.5701    4.7472 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0535    2.8636    2.2014 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1783    2.2690    3.8403 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1129    3.1906    5.2303 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5608    3.2615    5.2535 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9257    3.2869    3.5158 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0921    3.2367    0.8069 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7894    2.6439   -0.7756 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5153    2.7537   -1.0650 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3808    4.6849   -0.9625 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1922    7.0980   -1.4410 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2297    8.4716   -1.7844 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7586    5.9789   -3.9129 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8248    4.9292   -4.7749 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.0175    5.4669   -3.7415 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.1451    7.1047   -1.8804 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0696    8.1404   -0.9933 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6739    5.0100   -1.0754 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 36  1  0  0  0  0
  3 37  1  0  0  0  0
  3 38  1  0  0  0  0
  4  5  1  0  0  0  0
  4 39  1  0  0  0  0
  4 40  1  0  0  0  0
  5  6  1  0  0  0  0
  5 41  1  0  0  0  0
  5 42  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 43  1  0  0  0  0
  7 44  1  0  0  0  0
  8  9  1  0  0  0  0
  8 45  1  0  0  0  0
  8 46  1  0  0  0  0
  9 10  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  2  0  0  0  0
 10 47  1  0  0  0  0
 11 12  1  0  0  0  0
 11 48  1  0  0  0  0
 12 13  1  0  0  0  0
 12 30  2  0  0  0  0
 13 14  2  0  0  0  0
 13 49  1  0  0  0  0
 14 15  1  0  0  0  0
 14 50  1  0  0  0  0
 15 16  1  0  0  0  0
 15 30  1  0  0  0  0
 16 17  1  0  0  0  0
 16 51  1  0  0  0  0
 16 52  1  0  0  0  0
 17 18  1  0  0  0  0
 17 29  2  0  0  0  0
 18 19  2  0  0  0  0
 18 53  1  0  0  0  0
 19 20  1  0  0  0  0
 19 54  1  0  0  0  0
 20 21  2  0  0  0  0
 20 55  1  0  0  0  0
 21 22  1  0  0  0  0
 21 29  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 28  2  0  0  0  0
 24 25  2  0  0  0  0
 24 56  1  0  0  0  0
 25 26  1  0  0  0  0
 25 57  1  0  0  0  0
 26 27  2  0  0  0  0
 26 58  1  0  0  0  0
 27 28  1  0  0  0  0
 27 59  1  0  0  0  0
 28 60  1  0  0  0  0
 29 61  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-01-24, 2584👍, 0💬