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

Systemtic Name: 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-piperidin-1-ylethanone Traditional Name: 2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-1-piperidino-ethanone Formula: C16H20N4OS MolecularWeight: 316.4212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NNC(=S)N2CC(=O)N3CCCCC3

Isomeric SMILES

CC1=CC=CC(=C1)C2=NNC(=S)N2CC(=O)N3CCCCC3

InChI

InChI=1S/C16H20N4OS/c1-12-6-5-7-13(10-12)15-17-18-16(22)20(15)11-14(21)19-8-3-2-4-9-19/h5-7,10H,2-4,8-9,11H2,1H3,(H,18,22)