(3S)-N-phenyl-1-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]carbonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-phenyl-1-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]carbonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-phenyl-1-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoyl]piperidine-3-carboxamide CAS Name: (3S)-1-[oxo-[4-[(1H-1,2,4-triazol-5-ylthio)methyl]phenyl]methyl]-N-phenyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-phenyl-1-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoyl]piperidine-3-carboxamide Traditional Name: (3S)-N-phenyl-1-[4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzoyl]nipecotamide Formula: C22H23N5O2S MolecularWeight: 421.51532

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)CSC3=NC=NN3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CC=C(C=C2)CSC3=NC=NN3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H23N5O2S/c28-20(25-19-6-2-1-3-7-19)18-5-4-12-27(13-18)21(29)17-10-8-16(9-11-17)14-30-22-23-15-24-26-22/h1-3,6-11,15,18H,4-5,12-14H2,(H,25,28)(H,23,24,26)/t18-/m0/s1