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

Systemtic Name: N-[4-[4-(2,3-dimethylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]phenyl]benzenesulfonamide Openeye Name: N-[4-[4-(2,3-dimethylphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]phenyl]benzenesulfonamide CAS Name: N-[4-[4-(2,3-dimethylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]phenyl]benzenesulfonamide IUPAC Name: N-[4-[4-(2,3-dimethylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]phenyl]benzenesulfonamide Traditional Name: N-[4-[4-(2,3-dimethylphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]phenyl]benzenesulfonamide Formula: C22H20N4O2S2 MolecularWeight: 436.5498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4O2S2/c1-15-7-6-10-20(16(15)2)26-21(23-24-22(26)29)17-11-13-18(14-12-17)25-30(27,28)19-8-4-3-5-9-19/h3-14,25H,1-2H3,(H,24,29)