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

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

C1=CC=C(C=C1)CN2C(=NNC2=S)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NNC2=S)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H18N4O2S2/c26-29(27,19-9-5-2-6-10-19)24-18-13-11-17(12-14-18)20-22-23-21(28)25(20)15-16-7-3-1-4-8-16/h1-14,24H,15H2,(H,23,28)