1-[4-[[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]methyl]phenyl]ethanone

Systemtic Name: 1-[4-[[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]methyl]phenyl]ethanone Openeye Name: 1-[4-[[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]methyl]phenyl]ethanone CAS Name: 1-[4-[[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]methyl]phenyl]ethanone IUPAC Name: 1-[4-[[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]methyl]phenyl]ethanone Traditional Name: 1-[4-[[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]methyl]phenyl]ethanone Formula: C18H17N3OS MolecularWeight: 323.41208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=S)N2CC3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=S)N2CC3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C18H17N3OS/c1-12-3-7-16(8-4-12)17-19-20-18(23)21(17)11-14-5-9-15(10-6-14)13(2)22/h3-10H,11H2,1-2H3,(H,20,23)