N-[4-[4-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]phenyl]benzenesulfonamide

Systemtic Name: N-[4-[4-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]phenyl]benzenesulfonamide Openeye Name: N-[4-[4-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-3-yl]phenyl]benzenesulfonamide CAS Name: N-[4-[4-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]phenyl]benzenesulfonamide IUPAC Name: N-[4-[4-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]phenyl]benzenesulfonamide Traditional Name: N-[4-[4-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-3-yl]phenyl]benzenesulfonamide Formula: C21H18N4O2S2 MolecularWeight: 422.52322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NNC2=S)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NNC2=S)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H18N4O2S2/c1-15-6-5-7-18(14-15)25-20(22-23-21(25)28)16-10-12-17(13-11-16)24-29(26,27)19-8-3-2-4-9-19/h2-14,24H,1H3,(H,23,28)