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

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

CC1CCCCN1C(=O)CSC2=NNC(=N2)C3=CC=CC=C3

Isomeric SMILES

C[C@H]1CCCCN1C(=O)CSC2=NNC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C16H20N4OS/c1-12-7-5-6-10-20(12)14(21)11-22-16-17-15(18-19-16)13-8-3-2-4-9-13/h2-4,8-9,12H,5-7,10-11H2,1H3,(H,17,18,19)/t12-/m0/s1