N-(4-methoxy-2-nitro-phenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-methoxy-2-nitro-phenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-methoxy-2-nitro-phenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-(4-methoxy-2-nitrophenyl)-2-[[4-(trifluoromethyl)-2-pyrimidinyl]thio]acetamide IUPAC Name: N-(4-methoxy-2-nitrophenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide Traditional Name: N-(4-methoxy-2-nitro-phenyl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]thio]acetamide Formula: C14H11F3N4O4S MolecularWeight: 388.32175

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CSC2=NC=CC(=N2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)CSC2=NC=CC(=N2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C14H11F3N4O4S/c1-25-8-2-3-9(10(6-8)21(23)24)19-12(22)7-26-13-18-5-4-11(20-13)14(15,16)17/h2-6H,7H2,1H3,(H,19,22)