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

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-2-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-propanamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridyl]sulfanyl]propanamide CAS Name: N-(2-chloro-5-nitrophenyl)-2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]thio]propanamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-2-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylpropanamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridyl]thio]propionamide Formula: C17H12ClF3N4O3S MolecularWeight: 444.81539

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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-])Cl

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-])Cl

InChI

InChI=1S/C17H12ClF3N4O3S/c1-8-5-12(17(19,20)21)11(7-22)16(23-8)29-9(2)15(26)24-14-6-10(25(27)28)3-4-13(14)18/h3-6,9H,1-2H3,(H,24,26)