Molecule FYI-1013979

A

Molecule Summary:

ID: FYI-1013979
Names:
InChIKey: GTFQZABLKBXMHV-WEVVVXLNSA-N
SMILES: CS(=O)(=O)/C=C/CNC(=O)c2cc(c1ccccc1)[nH]n2

Received at FYIcenter.com on: 2025-02-14

Molecule ID: FYI-1013979 Edit

Molecule Structure InChIKey: GTFQZABLKBXMHV-WEVVVXLNSA-N

Molecule Structure SMILES String: CS(=O)(=O)/C=C/CNC(=O)c2cc(c1ccccc1)[nH]n2

Download SDF Download SVG Structure in 2D SDF:

FYI-1013979
FYIcenter.com

 21 22  0  0  0  0  0  0  0  0999 V2000
   14.8798    0.9834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6674    1.6834    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.3674    2.8958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9674    0.4710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4548    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2424    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0300    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8176    1.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6051    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6051    3.7834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3927    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1138    2.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1769    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8769    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2464    0.2911    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7846    1.3587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    2.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8228    2.7840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    0.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9617    0.2261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  2  0  0  0  0
  5  2  1  0  0  0  0
  6  5  2  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  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
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 16 13  1  0  0  0  0
 17 16  2  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
 21 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013979-3D
FYIcenter.com

 36 37  0  0  0  0  0  0  0  0999 V2000
    5.1296   -0.9423    6.7041 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5128   -0.0438    5.3032 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0756   -0.2657    5.2510 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0403    1.2987    5.3859 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2576   -0.8496    3.9566 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6395   -1.8764    3.3656 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1955   -2.6401    2.2002 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6350   -2.6489    2.2353 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3088   -3.6484    2.9099 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7178   -4.5620    3.4971 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7770   -3.5609    2.8744 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7136   -4.4521    3.4670 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9680   -3.9808    3.1281 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3052   -4.5085    3.3797 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5054   -5.8917    3.4861 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7799   -6.4117    3.7192 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8690   -5.5529    3.8508 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6842   -4.1758    3.7472 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4094   -3.6548    3.5112 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7197   -2.8589    2.3829 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4136   -2.5704    2.2145 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7017   -0.4923    7.6042 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2182   -0.8606    6.7393 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8179   -1.9863    6.6373 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2177   -0.4746    3.6128 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6670   -2.1996    3.7454 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8673   -2.1873    1.2577 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8492   -3.6770    2.2263 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1805   -2.0550    1.6166 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4967   -5.3409    4.0477 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6693   -6.5783    3.3747 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9213   -7.4867    3.7971 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8605   -5.9577    4.0366 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5334   -3.5060    3.8576 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2898   -2.5763    3.4545 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4063   -2.2619    1.9297 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 25  1  0  0  0  0
  6  7  1  0  0  0  0
  6 26  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  1  0  0  0  0
  8 29  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 21  2  0  0  0  0
 12 13  2  0  0  0  0
 12 30  1  0  0  0  0
 13 14  1  0  0  0  0
 13 20  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  2  0  0  0  0
 15 16  2  0  0  0  0
 15 31  1  0  0  0  0
 16 17  1  0  0  0  0
 16 32  1  0  0  0  0
 17 18  2  0  0  0  0
 17 33  1  0  0  0  0
 18 19  1  0  0  0  0
 18 34  1  0  0  0  0
 19 35  1  0  0  0  0
 20 21  1  0  0  0  0
 20 36  1  0  0  0  0
M  END
$$$$

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2025-03-12, 1268👍, 0💬