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

Systemtic Name: 3-[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-cyclohexyl-propanamide Openeye Name: 3-[[3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridyl]sulfanyl]-N-cyclohexyl-propanamide CAS Name: 3-[[3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridinyl]thio]-N-cyclohexylpropanamide IUPAC Name: 3-[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-cyclohexylpropanamide Traditional Name: 3-[[3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridyl]thio]-N-cyclohexyl-propionamide Formula: C22H22F3N3OS MolecularWeight: 433.48979

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CCSC2=C(C(=CC(=N2)C3=CC=CC=C3)C(F)(F)F)C#N

Isomeric SMILES

C1CCC(CC1)NC(=O)CCSC2=C(C(=CC(=N2)C3=CC=CC=C3)C(F)(F)F)C#N

InChI

InChI=1S/C22H22F3N3OS/c23-22(24,25)18-13-19(15-7-3-1-4-8-15)28-21(17(18)14-26)30-12-11-20(29)27-16-9-5-2-6-10-16/h1,3-4,7-8,13,16H,2,5-6,9-12H2,(H,27,29)