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

Systemtic Name: 4-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-(3-methylphenyl)butanamide Openeye Name: 4-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridyl]sulfanyl]-N-(m-tolyl)butanamide CAS Name: 4-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]thio]-N-(3-methylphenyl)butanamide IUPAC Name: 4-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-(3-methylphenyl)butanamide Traditional Name: 4-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridyl]thio]-N-(m-tolyl)butyramide Formula: C19H18F3N3OS MolecularWeight: 393.42593

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CCCSC2=C(C(=CC(=N2)C)C(F)(F)F)C#N

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CCCSC2=C(C(=CC(=N2)C)C(F)(F)F)C#N

InChI

InChI=1S/C19H18F3N3OS/c1-12-5-3-6-14(9-12)25-17(26)7-4-8-27-18-15(11-23)16(19(20,21)22)10-13(2)24-18/h3,5-6,9-10H,4,7-8H2,1-2H3,(H,25,26)