2-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-(2-fluoranyl-5-nitro-phenyl)ethanamide

Systemtic Name: 2-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-(2-fluoranyl-5-nitro-phenyl)ethanamide Openeye Name: 2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridyl]sulfanyl]-N-(2-fluoro-5-nitro-phenyl)acetamide CAS Name: 2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]thio]-N-(2-fluoro-5-nitrophenyl)acetamide IUPAC Name: 2-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-(2-fluoro-5-nitrophenyl)acetamide Traditional Name: 2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridyl]thio]-N-(2-fluoro-5-nitro-phenyl)acetamide Formula: C16H10F4N4O3S MolecularWeight: 414.334213

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)C(F)(F)F)C#N)SCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])F

Isomeric SMILES

CC1=NC(=C(C(=C1)C(F)(F)F)C#N)SCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])F

InChI

InChI=1S/C16H10F4N4O3S/c1-8-4-11(16(18,19)20)10(6-21)15(22-8)28-7-14(25)23-13-5-9(24(26)27)2-3-12(13)17/h2-5H,7H2,1H3,(H,23,25)