Molecule FYI-1008789

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A

Molecule Summary:

ID: FYI-1008789
Names:
InChIKey: YNRCVVBNEPJYOF-UHFFFAOYSA-N
SMILES: NS(=O)(=O)Cc1ccccn1

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

Molecule ID: FYI-1008789 Edit

Molecule Structure InChIKey: YNRCVVBNEPJYOF-UHFFFAOYSA-N

Molecule Structure SMILES String: NS(=O)(=O)Cc1ccccn1

Download SDF Download SVG Structure in 2D SDF:

FYI-1008789
FYIcenter.com

 11 11  0  0  0  0  0  0  0  0999 V2000
    6.0622    1.4000    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
    5.5498    3.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1498    0.8876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    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
    1.2125    2.8000    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
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  2  0  0  0  0
  5  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008789-3D
FYIcenter.com

 19 19  0     0  0  0  0  0  0999 V2000
    2.0393    0.0094   -0.2545 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8970   -1.2460   -0.9725 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8981    1.2808   -0.9440 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0309   -1.2046    0.3332 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5259   -0.0008    0.5809 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9239   -0.0058    1.1113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4662    0.0010    0.5679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0977    1.2120    0.3345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3923    1.1838   -0.1718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2900   -1.1924   -0.1589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0070   -0.0373   -0.4260 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1064   -0.9133    1.6952 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1173    0.8689    1.7396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6112    2.1602    0.5364 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7995    0.8539    1.0811 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7987   -0.8668    1.0616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9214    2.1115   -0.3680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7242   -2.1701   -0.3401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0155   -0.0833   -0.8208 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  5  1  0  0  0  0
  1  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 10  2  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 14  1  0  0  0  0
  9 11  2  0  0  0  0
  9 17  1  0  0  0  0
 10 11  1  0  0  0  0
 10 18  1  0  0  0  0
 11 19  1  0  0  0  0
M  END
$$$$

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2024-04-29, 842👍, 0💬