ethyl (3S)-1-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-3-carboxylate CAS Name: (3S)-1-[1-oxo-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetyl]nipecotic acid ethyl ester Formula: C18H22N4O3S MolecularWeight: 374.45728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NNC(=N2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)CSC2=NNC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C18H22N4O3S/c1-2-25-17(24)14-9-6-10-22(11-14)15(23)12-26-18-19-16(20-21-18)13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3,(H,19,20,21)/t14-/m0/s1