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

Systemtic Name: N-(4-methoxyphenyl)-4-[4-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]benzenesulfonamide Openeye Name: 4-(4-benzyl-5-thioxo-1H-1,2,4-triazol-3-yl)-N-(4-methoxyphenyl)benzenesulfonamide CAS Name: N-(4-methoxyphenyl)-4-[4-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]benzenesulfonamide IUPAC Name: 4-(4-benzyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-N-(4-methoxyphenyl)benzenesulfonamide Traditional Name: 4-(4-benzyl-5-thioxo-1H-1,2,4-triazol-3-yl)-N-(4-methoxyphenyl)benzenesulfonamide Formula: C22H20N4O3S2 MolecularWeight: 452.5492

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C3=NNC(=S)N3CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C3=NNC(=S)N3CC4=CC=CC=C4

InChI

InChI=1S/C22H20N4O3S2/c1-29-19-11-9-18(10-12-19)25-31(27,28)20-13-7-17(8-14-20)21-23-24-22(30)26(21)15-16-5-3-2-4-6-16/h2-14,25H,15H2,1H3,(H,24,30)