Molecule FYI-1009262

A

Molecule Summary:

ID: FYI-1009262
Names:
InChIKey: HUZXDTXVSXOMFF-UHFFFAOYSA-N
SMILES: O=S(=O)(Nc1cccc(F)c1)c3ccc2CCCCc2c3

Received at FYIcenter.com on: 2024-05-04

Molecule ID: FYI-1009262 Edit

Molecule Structure InChIKey: HUZXDTXVSXOMFF-UHFFFAOYSA-N

Molecule Structure SMILES String: O=S(=O)(Nc1cccc(F)c1)c3ccc2CCCCc2c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1009262
FYIcenter.com

 21 23  0  0  0  0  0  0  0  0999 V2000
    5.5497    6.1124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1497    6.1124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    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
    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
    3.6373    2.8000    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  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  2  0  0  0  0
 11  5  1  0  0  0  0
 12  2  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
 16 15  1  0  0  0  0
 17 16  1  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
 20 15  1  0  0  0  0
 21 20  2  0  0  0  0
 21 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009262-3D
FYIcenter.com

 37 39  0     0  0  0  0  0  0999 V2000
    1.1764   -2.3470    0.5765 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0694    2.6367    1.5290 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.0435   -3.7605    0.2438 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5517   -1.9780    1.9361 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2805   -1.6366   -0.5391 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3836    2.3206    0.5638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5318    1.3970    0.1781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2675    1.5298    1.2439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0606    0.3526   -0.8321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8988    0.2664    0.5072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7628   -0.3100   -0.4425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6918   -0.3770    0.8201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3324   -1.5630    0.1807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3847   -1.4983   -1.0857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1773   -2.1221   -0.7733 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3386   -0.2015   -0.6131 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6821    0.5312    0.5167 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0510    0.4366   -1.8135 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7389    1.9230    0.4449 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1077    1.8285   -1.8852 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4516    2.5717   -0.7561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7405    3.1071    1.2381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9952    2.8181   -0.3340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3568    1.9772   -0.2503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9204    0.8997    1.0759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5859    1.2518    2.2565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3868    2.1763    1.3393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9166    0.8326   -1.8083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8460   -0.4039   -0.9478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0463    0.0613    1.5770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0321   -1.9434   -1.8376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9143   -3.0389   -1.2934 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3801   -2.1186   -1.4421 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9381    0.0510    1.4552 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7800   -0.1334   -2.6980 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8830    2.3337   -2.8200 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4953    3.6553   -0.8115 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  1 13  1  0  0  0  0
  2 19  1  0  0  0  0
  5 16  1  0  0  0  0
  5 33  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7  9  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 10  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 11  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 12 30  1  0  0  0  0
 13 15  1  0  0  0  0
 14 15  2  0  0  0  0
 14 31  1  0  0  0  0
 15 32  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 34  1  0  0  0  0
 18 20  2  0  0  0  0
 18 35  1  0  0  0  0
 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
 20 36  1  0  0  0  0
 21 37  1  0  0  0  0
M  END
$$$$

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2024-05-16, 239👍, 0💬