Molecule FYI-1015315

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A

Molecule Summary:

ID: FYI-1015315
Names:
InChIKey: LBTPIFQNEKOAIM-UHFFFAOYSA-N
SMILES: CS(=O)(=O)Nc1ccccc1

Received at FYIcenter.com on: 2025-08-04

Molecule ID: FYI-1015315 Edit

Molecule Structure InChIKey: LBTPIFQNEKOAIM-UHFFFAOYSA-N

Molecule Structure SMILES String: CS(=O)(=O)Nc1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1015315
FYIcenter.com

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.4249    1.9124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    2.4248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1988    3.0791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5961    2.9923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3699    4.1590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7464    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3491    5.4993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5753    4.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  2  0  0  0  0
  5  2  2  0  0  0  0
  1  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015315-3D
FYIcenter.com

 20 20  0     0  0  0  0  0  0999 V2000
    2.1796   -0.1433   -0.0811 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4177   -0.1895    0.6742 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8039   -1.2425   -0.9480 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8981    0.2551    0.9983 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4441    0.1247    0.5295 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2314    1.3364   -1.0670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2118    1.2636    0.2865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9874   -1.1416    0.3136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5229    1.1363   -0.1722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2984   -1.2691   -0.1454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0662   -0.1301   -0.3883 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0584    1.0912    1.5763 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0654    1.2440   -1.7667 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2972    1.4340   -1.6222 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3933    2.1950   -0.4126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7984    2.2556    0.4498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4065   -2.0389    0.5104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1206    2.0231   -0.3617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7226   -2.2552   -0.3108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0872   -0.2294   -0.7450 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  4  5  1  0  0  0  0
  4 12  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7  9  1  0  0  0  0
  7 16  1  0  0  0  0
  8 10  2  0  0  0  0
  8 17  1  0  0  0  0
  9 11  2  0  0  0  0
  9 18  1  0  0  0  0
 10 11  1  0  0  0  0
 10 19  1  0  0  0  0
 11 20  1  0  0  0  0
M  END
$$$$

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2025-08-18, 666👍, 0💬