Molecule FYI-1014234

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A

Molecule Summary:

ID: FYI-1014234
Names:
InChIKey: YEDUAINPPJYDJZ-UHFFFAOYSA-N
SMILES: O=c2[nH]c1ccccc1s2

Received at FYIcenter.com on: 2025-03-14

Molecule ID: FYI-1014234 Edit

Molecule Structure InChIKey: YEDUAINPPJYDJZ-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1014234
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 O   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-1014234-3D
FYIcenter.com

 15 16  0     0  0  0  0  0  0999 V2000
   -1.3849   -1.5116   -0.0001 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3869    0.2306    0.0003 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2025    1.0733   -0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1198    0.6175   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2250   -0.7711   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2405    1.4312   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4635   -1.3892   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1740    0.0848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4943    0.8172    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6052   -0.5828    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4223    2.0633    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1569    2.5126   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5576   -2.4700   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3938    1.4268    0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5897   -1.0429    0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  8  1  0  0  0  0
  2  8  2  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  3 11  1  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  9  1  0  0  0  0
  6 12  1  0  0  0  0
  7 10  1  0  0  0  0
  7 13  1  0  0  0  0
  9 10  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
M  END
$$$$

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2025-04-11, 1412👍, 0💬