N-[3-(3-methylsulfanyl-1,2,4-triazol-4-yl)phenyl]-4-methylsulfonyl-benzenesulfonamide

Systemtic Name: N-[3-(3-methylsulfanyl-1,2,4-triazol-4-yl)phenyl]-4-methylsulfonyl-benzenesulfonamide Openeye Name: N-[3-(3-methylsulfanyl-1,2,4-triazol-4-yl)phenyl]-4-methylsulfonyl-benzenesulfonamide CAS Name: 4-methylsulfonyl-N-[3-[3-(methylthio)-1,2,4-triazol-4-yl]phenyl]benzenesulfonamide IUPAC Name: N-[3-(3-methylsulfanyl-1,2,4-triazol-4-yl)phenyl]-4-methylsulfonylbenzenesulfonamide Traditional Name: 4-mesyl-N-[3-[3-(methylthio)-1,2,4-triazol-4-yl]phenyl]benzenesulfonamide Formula: C16H16N4O4S3 MolecularWeight: 424.51764

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=CN1C2=CC(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CSC1=NN=CN1C2=CC(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C16H16N4O4S3/c1-25-16-18-17-11-20(16)13-5-3-4-12(10-13)19-27(23,24)15-8-6-14(7-9-15)26(2,21)22/h3-11,19H,1-2H3