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

Systemtic Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide Openeye Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(4-pyridylmethylsulfanyl)pyridine-3-carboxamide CAS Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(pyridin-4-ylmethylthio)-3-pyridinecarboxamide IUPAC Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide Traditional Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(4-pyridylmethylthio)nicotinamide Formula: C20H13F3N4OS MolecularWeight: 414.40363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H13F3N4OS/c21-20(22,23)17-10-15(4-3-14(17)11-24)27-18(28)16-2-1-7-26-19(16)29-12-13-5-8-25-9-6-13/h1-10H,12H2,(H,27,28)