2-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-(3-oxidanylidene-1-phenyl-butan-2-yl)ethanamide

Systemtic Name: 2-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-(3-oxidanylidene-1-phenyl-butan-2-yl)ethanamide Openeye Name: N-(1-benzyl-2-oxo-propyl)-2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridyl]sulfanyl]acetamide CAS Name: 2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]thio]-N-(3-oxo-1-phenylbutan-2-yl)acetamide IUPAC Name: 2-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-(3-oxo-1-phenylbutan-2-yl)acetamide Traditional Name: N-(1-benzyl-2-keto-propyl)-2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridyl]thio]acetamide 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)SCC(=O)NC(CC2=CC=CC=C2)C(=O)C

Isomeric SMILES

CC1=NC(=C(C(=C1)C(F)(F)F)C#N)SCC(=O)NC(CC2=CC=CC=C2)C(=O)C

InChI

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