Molecule FYI-1008686

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A

Molecule Summary:

ID: FYI-1008686
Names:
InChIKey: SSEZSHJJNNLTQI-UHFFFAOYSA-N
SMILES: CNS(=O)(=O)c1ccccc1N

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

Molecule ID: FYI-1008686 Edit

Molecule Structure InChIKey: SSEZSHJJNNLTQI-UHFFFAOYSA-N

Molecule Structure SMILES String: CNS(=O)(=O)c1ccccc1N

Download SDF Download SVG Structure in 2D SDF:

FYI-1008686
FYIcenter.com

 12 12  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373    4.0124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9373    4.0124    0.0000 O   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 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
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  3  2  0  0  0  0
  6  3  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
 12 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008686-3D
FYIcenter.com

 22 22  0     0  0  0  0  0  0999 V2000
    1.5566    0.0727    0.5739 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0100    1.3892    0.9981 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8038   -1.0801    1.4270 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1851   -0.2504   -0.9811 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2704   -2.2588   -0.1510 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1666    0.1465    0.2710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8968   -0.9967   -0.0541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8082    1.3818    0.3607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2687   -0.9044   -0.2895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1800    1.4741    0.1253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9101    0.3310   -0.1998 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9452    0.6950   -2.0807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2683    2.2909    0.6084 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3475   -1.2273   -1.2544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8502   -1.7869   -0.5438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6798    2.4359    0.1942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9782    0.4031   -0.3833 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000    1.7257   -1.7204 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0147    0.4409   -2.5944 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7687    0.6211   -2.7964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8212   -3.0732   -0.3892 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7212   -2.3632    0.0108 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  6  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  1  0  0  0  0
  5  7  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 13  1  0  0  0  0
  9 11  1  0  0  0  0
  9 15  1  0  0  0  0
 10 11  2  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
M  END
$$$$

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2024-04-29, 1290👍, 0💬