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

Systemtic Name: 2-[3-cyano-6-(4-fluorophenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-pyridin-3-yl-ethanamide Openeye Name: 2-[[3-cyano-6-(4-fluorophenyl)-4-(trifluoromethyl)-2-pyridyl]sulfanyl]-N-(3-pyridyl)acetamide CAS Name: 2-[[3-cyano-6-(4-fluorophenyl)-4-(trifluoromethyl)-2-pyridinyl]thio]-N-(3-pyridinyl)acetamide IUPAC Name: 2-[3-cyano-6-(4-fluorophenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-pyridin-3-ylacetamide Traditional Name: 2-[[3-cyano-6-(4-fluorophenyl)-4-(trifluoromethyl)-2-pyridyl]thio]-N-(3-pyridyl)acetamide Formula: C20H12F4N4OS MolecularWeight: 432.394093

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H12F4N4OS/c21-13-5-3-12(4-6-13)17-8-16(20(22,23)24)15(9-25)19(28-17)30-11-18(29)27-14-2-1-7-26-10-14/h1-8,10H,11H2,(H,27,29)