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

Systemtic Name: 4-[4-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-N,N-bis(phenylmethyl)benzenesulfonamide Openeye Name: N,N-dibenzyl-4-[4-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-3-yl]benzenesulfonamide CAS Name: 4-[4-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-N,N-bis(phenylmethyl)benzenesulfonamide IUPAC Name: N,N-dibenzyl-4-[4-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]benzenesulfonamide Traditional Name: N,N-dibenzyl-4-[4-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-3-yl]benzenesulfonamide Formula: C29H26N4O2S2 MolecularWeight: 526.67234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NNC2=S)C3=CC=C(C=C3)S(=O)(=O)N(CC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NNC2=S)C3=CC=C(C=C3)S(=O)(=O)N(CC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C29H26N4O2S2/c1-22-12-16-26(17-13-22)33-28(30-31-29(33)36)25-14-18-27(19-15-25)37(34,35)32(20-23-8-4-2-5-9-23)21-24-10-6-3-7-11-24/h2-19H,20-21H2,1H3,(H,31,36)