(3R)-1-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperidine-3-carboxamide

Systemtic Name: (3R)-1-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperidine-3-carboxamide Openeye Name: (3R)-1-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-3-carboxamide CAS Name: (3R)-1-[1-oxo-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]ethyl]-3-piperidinecarboxamide IUPAC Name: (3R)-1-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-3-carboxamide Traditional Name: (3R)-1-[2-[(4-phenyl-1,2,4-triazol-3-yl)thio]acetyl]nipecotamide Formula: C16H19N5O2S MolecularWeight: 345.41936

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CSC2=NN=CN2C3=CC=CC=C3)C(=O)N

Isomeric SMILES

C1C[C@H](CN(C1)C(=O)CSC2=NN=CN2C3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C16H19N5O2S/c17-15(23)12-5-4-8-20(9-12)14(22)10-24-16-19-18-11-21(16)13-6-2-1-3-7-13/h1-3,6-7,11-12H,4-5,8-10H2,(H2,17,23)/t12-/m1/s1