1-(3-methylpiperidin-1-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(3-methylpiperidin-1-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(3-methyl-1-piperidyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(3-methyl-1-piperidinyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(3-methylpiperidin-1-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(3-methylpiperidino)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethanone Formula: C16H20N4OS MolecularWeight: 316.4212

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CSC2=NNC(=N2)C3=CC=CC=C3

Isomeric SMILES

CC1CCCN(C1)C(=O)CSC2=NNC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C16H20N4OS/c1-12-6-5-9-20(10-12)14(21)11-22-16-17-15(18-19-16)13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11H2,1H3,(H,17,18,19)