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

Systemtic Name: 4-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-(3-ethanoylphenyl)butanamide Openeye Name: N-(3-acetylphenyl)-4-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridyl]sulfanyl]butanamide CAS Name: N-(3-acetylphenyl)-4-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]thio]butanamide IUPAC Name: N-(3-acetylphenyl)-4-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylbutanamide Traditional Name: N-(3-acetylphenyl)-4-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridyl]thio]butyramide Formula: C20H18F3N3O2S MolecularWeight: 421.43603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)C(F)(F)F)C#N)SCCCC(=O)NC2=CC=CC(=C2)C(=O)C

Isomeric SMILES

CC1=NC(=C(C(=C1)C(F)(F)F)C#N)SCCCC(=O)NC2=CC=CC(=C2)C(=O)C

InChI

InChI=1S/C20H18F3N3O2S/c1-12-9-17(20(21,22)23)16(11-24)19(25-12)29-8-4-7-18(28)26-15-6-3-5-14(10-15)13(2)27/h3,5-6,9-10H,4,7-8H2,1-2H3,(H,26,28)