4-[3-[(phenylmethylsulfanyl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzenesulfonamide

Systemtic Name: 4-[3-[(phenylmethylsulfanyl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzenesulfonamide Openeye Name: 4-[3-(benzylsulfanylmethyl)-5-thioxo-1H-1,2,4-triazol-4-yl]benzenesulfonamide CAS Name: 4-[3-[(phenylmethylthio)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzenesulfonamide IUPAC Name: 4-[3-(benzylsulfanylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzenesulfonamide Traditional Name: 4-[3-[(benzylthio)methyl]-5-thioxo-1H-1,2,4-triazol-4-yl]benzenesulfonamide Formula: C16H16N4O2S3 MolecularWeight: 392.51884

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC2=NNC(=S)N2C3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CSCC2=NNC(=S)N2C3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C16H16N4O2S3/c17-25(21,22)14-8-6-13(7-9-14)20-15(18-19-16(20)23)11-24-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,19,23)(H2,17,21,22)