N-(3-methoxy-5-nitro-phenyl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(3-methoxy-5-nitro-phenyl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide Openeye Name: N-(3-methoxy-5-nitro-phenyl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide CAS Name: N-(3-methoxy-5-nitrophenyl)-2-[[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]propanamide IUPAC Name: N-(3-methoxy-5-nitrophenyl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide Traditional Name: N-(3-methoxy-5-nitro-phenyl)-2-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]propionamide Formula: C21H17F3N4O4S MolecularWeight: 478.44429

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC(=C1)OC)[N+](=O)[O-])SC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC(=CC(=C1)OC)[N+](=O)[O-])SC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3

InChI

InChI=1S/C21H17F3N4O4S/c1-12(19(29)25-14-8-15(28(30)31)10-16(9-14)32-2)33-20-26-17(13-6-4-3-5-7-13)11-18(27-20)21(22,23)24/h3-12H,1-2H3,(H,25,29)