2-[3-cyano-6-(4-fluorophenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-phenyl-ethanamide

Systemtic Name: 2-[3-cyano-6-(4-fluorophenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: 2-[[3-cyano-6-(4-fluorophenyl)-4-(trifluoromethyl)-2-pyridyl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[3-cyano-6-(4-fluorophenyl)-4-(trifluoromethyl)-2-pyridinyl]thio]-N-phenylacetamide IUPAC Name: 2-[3-cyano-6-(4-fluorophenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-phenylacetamide Traditional Name: 2-[[3-cyano-6-(4-fluorophenyl)-4-(trifluoromethyl)-2-pyridyl]thio]-N-phenyl-acetamide Formula: C21H13F4N3OS MolecularWeight: 431.406033

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)F)C(F)(F)F)C#N

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)F)C(F)(F)F)C#N

InChI

InChI=1S/C21H13F4N3OS/c22-14-8-6-13(7-9-14)18-10-17(21(23,24)25)16(11-26)20(28-18)30-12-19(29)27-15-4-2-1-3-5-15/h1-10H,12H2,(H,27,29)