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

Systemtic Name: N-(2-methyl-3-nitro-phenyl)-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-methyl-3-nitro-phenyl)-2-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]acetamide CAS Name: N-(2-methyl-3-nitrophenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-(2-methyl-3-nitrophenyl)-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylacetamide Traditional Name: N-(2-methyl-3-nitro-phenyl)-2-[[5-(trifluoromethyl)-2-pyridyl]thio]acetamide Formula: C15H12F3N3O3S MolecularWeight: 371.33429

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CSC2=NC=C(C=C2)C(F)(F)F

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CSC2=NC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C15H12F3N3O3S/c1-9-11(3-2-4-12(9)21(23)24)20-13(22)8-25-14-6-5-10(7-19-14)15(16,17)18/h2-7H,8H2,1H3,(H,20,22)