N-(2-methoxy-5-nitro-phenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide Openeye Name: N-(2-methoxy-5-nitro-phenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide CAS Name: N-(2-methoxy-5-nitrophenyl)-2-[[4-(trifluoromethyl)-2-pyrimidinyl]thio]propanamide IUPAC Name: N-(2-methoxy-5-nitrophenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide Traditional Name: N-(2-methoxy-5-nitro-phenyl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]thio]propionamide Formula: C15H13F3N4O4S MolecularWeight: 402.34833

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)SC2=NC=CC(=N2)C(F)(F)F

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)SC2=NC=CC(=N2)C(F)(F)F

InChI

InChI=1S/C15H13F3N4O4S/c1-8(27-14-19-6-5-12(21-14)15(16,17)18)13(23)20-10-7-9(22(24)25)3-4-11(10)26-2/h3-8H,1-2H3,(H,20,23)