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

Systemtic Name: 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-(4-phenylpiperidin-1-yl)ethanone Openeye Name: 2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-1-(4-phenyl-1-piperidyl)ethanone CAS Name: 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-(4-phenyl-1-piperidinyl)ethanone IUPAC Name: 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-(4-phenylpiperidin-1-yl)ethanone Traditional Name: 2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-1-(4-phenylpiperidino)ethanone Formula: C22H24N4OS MolecularWeight: 392.51716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NNC(=S)N2CC(=O)N3CCC(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC(=C1)C2=NNC(=S)N2CC(=O)N3CCC(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H24N4OS/c1-16-6-5-9-19(14-16)21-23-24-22(28)26(21)15-20(27)25-12-10-18(11-13-25)17-7-3-2-4-8-17/h2-9,14,18H,10-13,15H2,1H3,(H,24,28)