Molecule FYI-1015321

A

Molecule Summary:

ID: FYI-1015321
Names:
InChIKey: LNMRJCFXHFHUAX-UHFFFAOYSA-N
SMILES: CC2=CS(=O)(=O)c1cc(NS(C)(=O)=O)ccc1N2

Received at FYIcenter.com on: 2025-08-04

Molecule ID: FYI-1015321 Edit

Molecule Structure InChIKey: LNMRJCFXHFHUAX-UHFFFAOYSA-N

Molecule Structure SMILES String: CC2=CS(=O)(=O)c1cc(NS(C)(=O)=O)ccc1N2

Download SDF Download SVG Structure in 2D SDF:

FYI-1015321
FYIcenter.com

 18 19  0  0  0  0  0  0  0  0999 V2000
    2.4249    1.9124    0.0000 N   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
    0.0000    0.5124    0.0000 C   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
    0.5124    2.4248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1988    3.0791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5961    2.9923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3699    4.1590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7464    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3491    5.4993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5753    4.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5202    6.5792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7256    6.7528    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5285    6.0269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7426    7.7496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4731    7.5085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5753    8.9048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2119    8.1163    0.0000 C   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  2  2  0  0  0  0
  5  2  2  0  0  0  0
  1  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
 10 13  1  0  0  0  0
  9 12  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  2  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 18 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015321-3D
FYIcenter.com

 30 31  0  0  0  0  0  0  0  0999 V2000
    0.8872    0.1604   -0.0765 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3873   -0.0056   -0.0815 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8973   -1.2453   -0.0784 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5954   -1.4909   -0.0873 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.9927   -2.0578    1.1911 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9615   -2.1569   -1.3237 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3331    0.1020   -0.1533 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7300    0.1717   -0.1732 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3445    1.4130   -0.1001 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7549    1.4919    0.0289 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4126    1.6198    1.5767 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.9142    0.0959    2.3707 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8474    1.5627    1.3997 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7835    2.7255    2.2687 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5660    2.5693   -0.0442 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1663    2.4808   -0.0754 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5236    1.2368   -0.1194 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1296    1.1580   -0.0869 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3640   -0.8029   -0.0750 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5620    0.7106   -0.9655 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5661    0.7115    0.8135 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2857   -2.1351   -0.0722 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3150   -0.7441   -0.2004 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3222    0.9155   -0.5929 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2854   -0.7492    1.7877 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8284    0.0685    2.4668 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3609    0.0780    3.3672 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0449    3.5434    0.0294 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5881    3.4016   -0.0362 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6146    2.0341   -0.1093 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2  3  2  0  0  0  0
  2 18  1  0  0  0  0
  3  4  1  0  0  0  0
  3 22  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 17  2  0  0  0  0
  8  9  2  0  0  0  0
  8 23  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  1  0  0  0  0
 10 11  1  0  0  0  0
 10 24  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  2  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 15 16  2  0  0  0  0
 15 28  1  0  0  0  0
 16 17  1  0  0  0  0
 16 29  1  0  0  0  0
 17 18  1  0  0  0  0
 18 30  1  0  0  0  0
M  END
$$$$

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