Molecule FYI-1007214

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A

Molecule Summary:

ID: FYI-1007214
Names:
InChIKey: IAOOAWQGZFCKTR-UHFFFAOYSA-N
SMILES: c2cc1SCOc1cn2

Received at FYIcenter.com on: 2024-02-07

Molecule ID: FYI-1007214 Edit

Molecule Structure InChIKey: IAOOAWQGZFCKTR-UHFFFAOYSA-N

Molecule Structure SMILES String: c2cc1SCOc1cn2

Download SDF Download SVG Structure in 2D SDF:

FYI-1007214
FYIcenter.com

  9 10  0  0  0  0  0  0  0  0999 V2000
    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
    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 N   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
    3.7564    0.2674    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    2.5326    0.0000 O   0  0  0  0  0  0  0  0  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
  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  2  9  1  0  0  0  0
  1  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007214-3D
FYIcenter.com

 14 15  0     0  0  0  0  0  0999 V2000
    1.8387   -1.4012    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4482    1.2792   -0.0001 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1558    0.7013    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2164   -0.7440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2387    0.6410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4930    0.2818    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9847   -1.4278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9566    1.3263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1380   -0.6567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1125    0.4395   -0.8883 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1120    0.4394    0.8889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0348   -2.5100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9951    2.4097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1167   -1.1262    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  8  2  0  0  0  0
  3  9  1  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7  9  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
M  END
$$$$

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2024-02-18, 184👍, 0💬