1-(5-cyanopyridin-2-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]piperidine-4-carboxamide

Systemtic Name: 1-(5-cyanopyridin-2-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]piperidine-4-carboxamide Openeye Name: 1-(5-cyano-2-pyridyl)-N-[4-(3-pyridylmethylsulfanyl)phenyl]piperidine-4-carboxamide CAS Name: 1-(5-cyano-2-pyridinyl)-N-[4-(3-pyridinylmethylthio)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(5-cyanopyridin-2-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]piperidine-4-carboxamide Traditional Name: 1-(5-cyano-2-pyridyl)-N-[4-(3-pyridylmethylthio)phenyl]isonipecotamide Formula: C24H23N5OS MolecularWeight: 429.53732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3)C4=NC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3)C4=NC=C(C=C4)C#N

InChI

InChI=1S/C24H23N5OS/c25-14-18-3-8-23(27-16-18)29-12-9-20(10-13-29)24(30)28-21-4-6-22(7-5-21)31-17-19-2-1-11-26-15-19/h1-8,11,15-16,20H,9-10,12-13,17H2,(H,28,30)