Molecule Editor

Molecule ID: FYI-1015624 Edit

Molecule Structure InChIKey: KHBQMWCZKVMBLN-UHFFFAOYSA-N

Molecule Structure SMILES String: NS(=O)(=O)c1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1015624
FYIcenter.com

 10 10  0  0  0  0  0  0  0  0999 V2000
    4.8497    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.9124    0.0000 C   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
    0.5124    2.4248    0.0000 O   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
    0.0000    0.5124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  2  0  0  0  0
 10  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015624-3D
FYIcenter.com

 17 17  0     0  0  0  0  0  0999 V2000
    1.7572   -0.0002   -0.1096 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1983   -1.2605   -0.6910 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2019    1.2590   -0.6903 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1354    0.0004    1.5566 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0121    0.0000   -0.0547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6849    1.2081   -0.0334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6851   -1.2079   -0.0323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0791    1.2083    0.0104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0794   -1.2077    0.0115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7764    0.0004    0.0328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1623    2.1604   -0.0436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1629   -2.1604   -0.0416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6219    2.1488    0.0287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6224   -2.1481    0.0307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8619    0.0005    0.0678 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5282   -0.8604    1.9567 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5284    0.8615    1.9559 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  5  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  7  9  2  0  0  0  0
  7 12  1  0  0  0  0
  8 10  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
M  END
$$$$