(3S)-1-[2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-[2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperidine-3-carboxamide Openeye Name: (3S)-1-[2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-3-carboxamide CAS Name: (3S)-1-[1-oxo-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]ethyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-[2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-3-carboxamide Traditional Name: (3S)-1-[2-[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]acetyl]nipecotamide Formula: C18H23N5O3S MolecularWeight: 389.47192

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CSC2=NNC(=O)N2CCC3=CC=CC=C3)C(=O)N

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)CSC2=NNC(=O)N2CCC3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C18H23N5O3S/c19-16(25)14-7-4-9-22(11-14)15(24)12-27-18-21-20-17(26)23(18)10-8-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2,(H2,19,25)(H,20,26)/t14-/m0/s1