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

Systemtic Name: N-(phenylmethyl)-1-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]carbonyl-piperidine-4-carboxamide Openeye Name: N-benzyl-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-(phenylmethyl)-4-piperidinecarboxamide IUPAC Name: N-benzyl-1-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoyl]piperidine-4-carboxamide Traditional Name: N-benzyl-1-[4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzoyl]isonipecotamide Formula: C23H25N5O2S MolecularWeight: 435.5419

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)CSC4=NC=NN4

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)CSC4=NC=NN4

InChI

InChI=1S/C23H25N5O2S/c29-21(24-14-17-4-2-1-3-5-17)19-10-12-28(13-11-19)22(30)20-8-6-18(7-9-20)15-31-23-25-16-26-27-23/h1-9,16,19H,10-15H2,(H,24,29)(H,25,26,27)