N-(3-cyano-4-methyl-phenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC=NC=C3)C#N

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC=NC=C3)C#N

InChI

InChI=1S/C20H16N4OS/c1-14-4-5-17(11-16(14)12-21)24-19(25)18-3-2-8-23-20(18)26-13-15-6-9-22-10-7-15/h2-11H,13H2,1H3,(H,24,25)