Molecule FYI-1010987

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A

Molecule Summary:

ID: FYI-1010987
Names:
InChIKey: UMSJVZBRDAVDGK-UHFFFAOYSA-N
SMILES: CSC(C)(C)NC(=O)c1c[nH]c2ccccc12

Received at FYIcenter.com on: 2024-07-21

Molecule ID: FYI-1010987 Edit

Molecule Structure InChIKey: UMSJVZBRDAVDGK-UHFFFAOYSA-N

Molecule Structure SMILES String: CSC(C)(C)NC(=O)c1c[nH]c2ccccc12

Download SDF Download SVG Structure in 2D SDF:

FYI-1010987
FYIcenter.com

 17 18  0  0  0  0  0  0  0  0999 V2000
    6.0622    5.2948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.5948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.2948    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.5948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7249    3.3824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249    3.3824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.2948    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.1948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7171    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1498    1.0404    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5498    1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4866    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8560    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2886    1.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3518    2.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9824    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  4  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  2  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  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  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 17 12  1  0  0  0  0
 17  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010987-3D
FYIcenter.com

 33 34  0  0  0  0  0  0  0  0999 V2000
    1.3239   -0.0132    0.0291 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1401   -0.0278    0.0216 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5054   -0.7648   -1.6463 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8933   -2.1683   -1.7294 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9689    0.1652   -2.7404 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9575   -0.8137   -1.6820 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6961   -1.3251   -2.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1850   -1.8425   -3.7155 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1461   -1.2156   -2.5785 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8309   -0.3022   -1.7909 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1749   -0.5002   -1.9646 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3970   -1.5205   -2.8565 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6023   -2.0478   -3.3387 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5310   -3.0981   -4.2583 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3023   -3.6028   -4.6730 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1074   -3.0622   -4.1816 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1467   -1.9942   -3.2576 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9810    0.4121    0.9768 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9154   -1.0235   -0.0428 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9263    0.6104   -0.7744 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7992   -2.1445   -1.7146 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2374   -2.8062   -0.9065 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1683   -2.6778   -2.6578 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8766    0.2293   -2.7337 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2508   -0.1853   -3.7386 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3738    1.1797   -2.6380 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4326   -0.4746   -0.8601 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4817    0.4942   -1.1473 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9072    0.0379   -1.5201 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5625   -1.6558   -3.0179 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4496   -3.5249   -4.6548 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2666   -4.4211   -5.3869 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1529   -3.4623   -4.5167 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6  7  1  0  0  0  0
  6 27  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 17  1  0  0  0  0
 10 11  1  0  0  0  0
 10 28  1  0  0  0  0
 11 12  1  0  0  0  0
 11 29  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  2  0  0  0  0
 13 14  2  0  0  0  0
 13 30  1  0  0  0  0
 14 15  1  0  0  0  0
 14 31  1  0  0  0  0
 15 16  2  0  0  0  0
 15 32  1  0  0  0  0
 16 17  1  0  0  0  0
 16 33  1  0  0  0  0
M  END
$$$$

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2024-08-06, 503👍, 0💬