Molecule FYI-1008710

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A

Molecule Summary:

ID: FYI-1008710
Names:
InChIKey: GBSKERZKTPNLON-UHFFFAOYSA-N
SMILES: N=S3(=O)c1ccccc1Nc2ccccc23

Received at FYIcenter.com on: 2024-04-28

Molecule ID: FYI-1008710 Edit

Molecule Structure InChIKey: GBSKERZKTPNLON-UHFFFAOYSA-N

Molecule Structure SMILES String: N=S3(=O)c1ccccc1Nc2ccccc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1008710
FYIcenter.com

 16 18  0  0  0  0  0  0  0  0999 V2000
    0.7000    5.4124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    4.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1876    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1876    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  2  0  0  0  0
  4  2  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  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16  2  1  0  0  0  0
 16 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008710-3D
FYIcenter.com

 26 28  0     0  0  0  0  0  0999 V2000
    0.0004   -1.4865    0.0222 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0046   -2.1719   -1.2571 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0019    1.5603    0.0683 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0117   -2.1240    1.4281 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4207   -0.4412   -0.0046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4192   -0.4395   -0.0058 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2603    0.9454    0.0343 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2573    0.9470    0.0328 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6798   -1.0425   -0.0659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6791   -1.0398   -0.0645 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4200    1.7336    0.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4162    1.7364    0.0184 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8166   -0.2397   -0.0791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8149   -0.2358   -0.0784 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6878    1.1470   -0.0339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6845    1.1511   -0.0359 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0025    2.5732    0.1131 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7860   -2.1228   -0.0997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7869   -2.1200   -0.0972 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3455    2.8186    0.0493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3406    2.8214    0.0459 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8024   -0.6929   -0.1239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8013   -0.6878   -0.1222 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5743    1.7747   -0.0442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5704    1.7796   -0.0471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8775   -2.6190    1.6608 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 17  1  0  0  0  0
  4 26  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  2  0  0  0  0
  6  8  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
  9 18  1  0  0  0  0
 10 14  1  0  0  0  0
 10 19  1  0  0  0  0
 11 15  1  0  0  0  0
 11 20  1  0  0  0  0
 12 16  1  0  0  0  0
 12 21  1  0  0  0  0
 13 15  2  0  0  0  0
 13 22  1  0  0  0  0
 14 16  2  0  0  0  0
 14 23  1  0  0  0  0
 15 24  1  0  0  0  0
 16 25  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-04-29, 1112👍, 0💬