Molecule FYI-1013125

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A

Molecule Summary:

ID: FYI-1013125
Names:
InChIKey: AIAIKFNZSRZTCW-UHFFFAOYSA-N
SMILES: Cc3cccc(CS(=N)(=O)c2nc1ccccc1s2)c3

Received at FYIcenter.com on: 2024-11-14

Molecule ID: FYI-1013125 Edit

Molecule Structure InChIKey: AIAIKFNZSRZTCW-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc3cccc(CS(=N)(=O)c2nc1ccccc1s2)c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1013125
FYIcenter.com

 20 22  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.7000    0.0000 C   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
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    2.5326    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.2322    2.7770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6225    2.9416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4602    1.8199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8505    1.9846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4030    3.2709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5653    4.3926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1750    4.2280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8753    0.3243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3792    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6883    0.8630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  2  9  1  0  0  0  0
  1  7  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 10 18  2  0  0  0  0
 10 19  2  0  0  0  0
 14 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013125-3D
FYIcenter.com

 34 36  0  0  0  0  0  0  0  0999 V2000
    0.1006    1.2921   -2.6898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1979    0.6652   -1.3586 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2331    1.2716   -0.1743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0551    0.6896    1.0590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7716   -0.5068    1.1201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2107   -1.1369   -0.0538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9870   -2.4337    0.0202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7361   -2.0726    0.0344 S   0  0  3  0  0  0  0  0  0  0  0  0
   -4.1023   -1.2867    1.3160 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1702   -1.7576   -1.3127 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4770   -3.6523    0.4050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8320   -4.7858    0.6069 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7551   -5.7869    0.8880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4572   -7.1367    1.1726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4900   -8.0396    1.4527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8153   -7.6173    1.4525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1412   -6.2879    1.1662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0964   -5.3896    0.8846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1845   -3.7153    0.4923 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9215   -0.5367   -1.2904 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7004    2.2016   -2.5803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8312    1.5640   -3.1958 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6645    0.5959   -3.3187 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7964    2.2018   -0.2037 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2820    1.1696    1.9747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9855   -0.9396    2.0957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7297   -2.9830    0.9313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7704   -3.0683   -0.8446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7442   -0.3316    1.2566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4236   -7.4692    1.1759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2534   -9.0779    1.6745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6090   -8.3274    1.6761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1761   -5.9595    1.1658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2608   -1.0036   -2.2148 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2  3  1  0  0  0  0
  2 20  2  0  0  0  0
  3  4  2  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  2  0  0  0  0
  5 26  1  0  0  0  0
  6  7  1  0  0  0  0
  6 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 29  1  0  0  0  0
 11 12  2  0  0  0  0
 11 19  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  2  0  0  0  0
 14 15  2  0  0  0  0
 14 30  1  0  0  0  0
 15 16  1  0  0  0  0
 15 31  1  0  0  0  0
 16 17  2  0  0  0  0
 16 32  1  0  0  0  0
 17 18  1  0  0  0  0
 17 33  1  0  0  0  0
 18 19  1  0  0  0  0
 20 34  1  0  0  0  0
M  END
$$$$

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2024-11-23, 1105👍, 0💬