Molecule FYI-1014232

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A

Molecule Summary:

ID: FYI-1014232
Names:
InChIKey: YXIWHUQXZSMYRE-UHFFFAOYSA-N
SMILES: S=c2[nH]c1ccccc1s2

Received at FYIcenter.com on: 2025-03-13

Molecule ID: FYI-1014232 Edit

Molecule Structure InChIKey: YXIWHUQXZSMYRE-UHFFFAOYSA-N

Molecule Structure SMILES String: S=c2[nH]c1ccccc1s2

Download SDF Download SVG Structure in 2D SDF:

FYI-1014232
FYIcenter.com

 10 11  0  0  0  0  0  0  0  0999 V2000
    1.2125    0.0000    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
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    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
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    2.5326    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.9750    1.5089    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  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
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  8 10  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014232-3D
FYIcenter.com

 15 16  0     0  0  0  0  0  0999 V2000
   -1.2933    1.5222   -0.0001 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7653   -0.2338    0.0001 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2185   -1.0559    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2596    0.7728   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0971   -0.6159   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5301    1.3707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2485   -1.4328   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6531    0.5395    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5164   -0.8443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0278   -0.0225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6445    2.4504    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1534   -2.5150   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    0.9820    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4014   -1.4749    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1039    1.0637    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 10  1  0  0  0  0
  2 10  1  0  0  0  0
  2 15  1  0  0  0  0
  3  5  1  0  0  0  0
  3 10  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  5  7  2  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
M  END
$$$$

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2025-04-11, 1265👍, 0💬