N-[4-(cyanomethyl)phenyl]-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide Openeye Name: N-[4-(cyanomethyl)phenyl]-2-(4-pyridylmethylsulfanyl)pyridine-3-carboxamide CAS Name: N-[4-(cyanomethyl)phenyl]-2-(pyridin-4-ylmethylthio)-3-pyridinecarboxamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide Traditional Name: N-[4-(cyanomethyl)phenyl]-2-(4-pyridylmethylthio)nicotinamide Formula: C20H16N4OS MolecularWeight: 360.43224

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SCC2=CC=NC=C2)C(=O)NC3=CC=C(C=C3)CC#N

Isomeric SMILES

C1=CC(=C(N=C1)SCC2=CC=NC=C2)C(=O)NC3=CC=C(C=C3)CC#N

InChI

InChI=1S/C20H16N4OS/c21-10-7-15-3-5-17(6-4-15)24-19(25)18-2-1-11-23-20(18)26-14-16-8-12-22-13-9-16/h1-6,8-9,11-13H,7,14H2,(H,24,25)