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

Systemtic Name: 2-[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-cyclohexyl-ethanamide Openeye Name: 2-[[3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridyl]sulfanyl]-N-cyclohexyl-acetamide CAS Name: 2-[[3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridinyl]thio]-N-cyclohexylacetamide IUPAC Name: 2-[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-cyclohexylacetamide Traditional Name: 2-[[3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridyl]thio]-N-cyclohexyl-acetamide Formula: C21H20F3N3OS MolecularWeight: 419.46321

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CSC2=C(C(=CC(=N2)C3=CC=CC=C3)C(F)(F)F)C#N

Isomeric SMILES

C1CCC(CC1)NC(=O)CSC2=C(C(=CC(=N2)C3=CC=CC=C3)C(F)(F)F)C#N

InChI

InChI=1S/C21H20F3N3OS/c22-21(23,24)17-11-18(14-7-3-1-4-8-14)27-20(16(17)12-25)29-13-19(28)26-15-9-5-2-6-10-15/h1,3-4,7-8,11,15H,2,5-6,9-10,13H2,(H,26,28)