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

Systemtic Name: 2-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-(2-methoxy-5-nitro-phenyl)propanamide Openeye Name: 2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridyl]sulfanyl]-N-(2-methoxy-5-nitro-phenyl)propanamide CAS Name: 2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]thio]-N-(2-methoxy-5-nitrophenyl)propanamide IUPAC Name: 2-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-(2-methoxy-5-nitrophenyl)propanamide Traditional Name: 2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridyl]thio]-N-(2-methoxy-5-nitro-phenyl)propionamide Formula: C18H15F3N4O4S MolecularWeight: 440.39631

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15F3N4O4S/c1-9-6-13(18(19,20)21)12(8-22)17(23-9)30-10(2)16(26)24-14-7-11(25(27)28)4-5-15(14)29-3/h4-7,10H,1-3H3,(H,24,26)