Molecule FYI-1014233

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A

Molecule Summary:

ID: FYI-1014233
Names:
InChIKey: AFZSMODLJJCVPP-UHFFFAOYSA-N
SMILES: c4ccc3sc(SSc2nc1ccccc1s2)nc3c4

Received at FYIcenter.com on: 2025-03-14

Molecule ID: FYI-1014233 Edit

Molecule Structure InChIKey: AFZSMODLJJCVPP-UHFFFAOYSA-N

Molecule Structure SMILES String: c4ccc3sc(SSc2nc1ccccc1s2)nc3c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1014233
FYIcenter.com

 20 23  0  0  0  0  0  0  0  0999 V2000
    1.2125    0.6704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    3.4704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.3704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    0.9378    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    2.0704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    3.2030    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.9750    2.1793    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.7672    1.0250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.1630    1.1339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0715    0.0687    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3653    0.6036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2564    1.9993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8953    2.3271    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.6285    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7828    0.7922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6739    2.1880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4107    2.7915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  5  9  1  0  0  0  0
  6  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  1  0  0  0  0
 15 16  1  0  0  0  0
 12 16  1  0  0  0  0
 12 13  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 15 20  2  0  0  0  0
 14 17  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014233-3D
FYIcenter.com

 28 31  0     0  0  0  0  0  0999 V2000
    1.7014   -0.1662    1.6213 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7090   -0.1466   -1.6330 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4175    2.4964    0.9454 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4262    2.5120   -0.9391 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5924    1.4333   -0.1952 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5911    1.4326    0.2055 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1078   -0.6561    0.7525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1084   -0.6482   -0.7596 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4359    0.3319   -0.1808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4323    0.3296    0.1857 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8661   -1.8302    0.8870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8651   -1.8226   -0.9008 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5634    0.1355   -1.0074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5537    0.1225    1.0179 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6512    1.2780    0.7063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6681    1.2761   -0.7015 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9770   -1.9998    0.0568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9700   -2.0030   -0.0648 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3228   -1.0309   -0.8788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3115   -1.0443    0.8827 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6020   -2.5908    1.6152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6043   -2.5754   -1.6383 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8425    0.8858   -1.7418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8294    0.8648    1.7616 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5775   -2.9015    0.1446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5691   -2.9050   -0.1576 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1902   -1.1802   -1.5160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1742   -1.2018    1.5243 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 15  1  0  0  0  0
  2  8  1  0  0  0  0
  2 16  1  0  0  0  0
  3  4  1  0  0  0  0
  3 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5  9  1  0  0  0  0
  5 15  2  0  0  0  0
  6 10  1  0  0  0  0
  6 16  2  0  0  0  0
  7  9  1  0  0  0  0
  7 11  2  0  0  0  0
  8 10  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  2  0  0  0  0
 10 14  2  0  0  0  0
 11 17  1  0  0  0  0
 11 21  1  0  0  0  0
 12 18  1  0  0  0  0
 12 22  1  0  0  0  0
 13 19  1  0  0  0  0
 13 23  1  0  0  0  0
 14 20  1  0  0  0  0
 14 24  1  0  0  0  0
 17 19  2  0  0  0  0
 17 25  1  0  0  0  0
 18 20  2  0  0  0  0
 18 26  1  0  0  0  0
 19 27  1  0  0  0  0
 20 28  1  0  0  0  0
M  END
$$$$

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