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

Systemtic Name: 2-[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-naphthalen-2-yl-butanamide Openeye Name: 2-[[3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridyl]sulfanyl]-N-(2-naphthyl)butanamide CAS Name: 2-[[3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridinyl]thio]-N-(2-naphthalenyl)butanamide IUPAC Name: 2-[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-naphthalen-2-ylbutanamide Traditional Name: 2-[[3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridyl]thio]-N-(2-naphthyl)butyramide Formula: C27H20F3N3OS MolecularWeight: 491.52741

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC2=CC=CC=C2C=C1)SC3=C(C(=CC(=N3)C4=CC=CC=C4)C(F)(F)F)C#N

Isomeric SMILES

CCC(C(=O)NC1=CC2=CC=CC=C2C=C1)SC3=C(C(=CC(=N3)C4=CC=CC=C4)C(F)(F)F)C#N

InChI

InChI=1S/C27H20F3N3OS/c1-2-24(25(34)32-20-13-12-17-8-6-7-11-19(17)14-20)35-26-21(16-31)22(27(28,29)30)15-23(33-26)18-9-4-3-5-10-18/h3-15,24H,2H2,1H3,(H,32,34)