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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC=CC=C1)SC2=C(C(=CC(=N2)C)C(F)(F)F)C#N

Isomeric SMILES

CCC(C(=O)NCC1=CC=CC=C1)SC2=C(C(=CC(=N2)C)C(F)(F)F)C#N

InChI

InChI=1S/C19H18F3N3OS/c1-3-16(17(26)24-11-13-7-5-4-6-8-13)27-18-14(10-23)15(19(20,21)22)9-12(2)25-18/h4-9,16H,3,11H2,1-2H3,(H,24,26)