Molecule FYI-1008718

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A

Molecule Summary:

ID: FYI-1008718
Names:
InChIKey: WOJRRQJVEUOFHM-UHFFFAOYSA-N
SMILES: COc1ncccc1C(N)=S

Received at FYIcenter.com on: 2024-04-28

Molecule ID: FYI-1008718 Edit

Molecule Structure InChIKey: WOJRRQJVEUOFHM-UHFFFAOYSA-N

Molecule Structure SMILES String: COc1ncccc1C(N)=S

Download SDF Download SVG Structure in 2D SDF:

FYI-1008718
FYIcenter.com

 11 11  0  0  0  0  0  0  0  0999 V2000
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    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    1.4000    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
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 S   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  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008718-3D
FYIcenter.com

 19 19  0     0  0  0  0  0  0999 V2000
   -3.0046    0.5362   -1.0350 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2742   -1.8352   -0.1300 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8959   -0.1888   -0.0794 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2224   -0.7904    1.1289 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4362    0.4331    0.0594 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5811   -0.5016   -0.0482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0813    1.7750    0.1401 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2612    2.1363    0.1110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8386    0.0476    0.0902 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2025    1.1255    0.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3682   -2.7376   -0.2383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8335    2.5535    0.2360 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5614    3.1759    0.1749 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2628    1.3543   -0.0248 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9622   -3.7521   -0.2936 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0136   -2.6816    0.6448 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9406   -2.5544   -1.1539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5690   -1.1156    1.8346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1830   -1.1050    1.2163 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2  6  1  0  0  0  0
  2 11  1  0  0  0  0
  3  6  1  0  0  0  0
  3 10  2  0  0  0  0
  4  9  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  7  8  2  0  0  0  0
  7 12  1  0  0  0  0
  8 10  1  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
M  END
$$$$

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2024-04-29, 180👍, 0💬