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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)CSC4=NC=NN4

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)CSC4=NC=NN4

InChI

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