N-(2-methoxy-4-nitro-phenyl)-3-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(2-methoxy-4-nitro-phenyl)-3-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide Openeye Name: N-(2-methoxy-4-nitro-phenyl)-3-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide CAS Name: N-(2-methoxy-4-nitrophenyl)-3-[[4-(trifluoromethyl)-2-pyrimidinyl]thio]propanamide IUPAC Name: N-(2-methoxy-4-nitrophenyl)-3-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide Traditional Name: N-(2-methoxy-4-nitro-phenyl)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]thio]propionamide Formula: C15H13F3N4O4S MolecularWeight: 402.34833

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CCSC2=NC=CC(=N2)C(F)(F)F

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CCSC2=NC=CC(=N2)C(F)(F)F

InChI

InChI=1S/C15H13F3N4O4S/c1-26-11-8-9(22(24)25)2-3-10(11)20-13(23)5-7-27-14-19-6-4-12(21-14)15(16,17)18/h2-4,6,8H,5,7H2,1H3,(H,20,23)