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

Systemtic Name: N-(3-methoxy-5-nitro-phenyl)-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-(3-methoxy-5-nitro-phenyl)-2-[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-(3-methoxy-5-nitrophenyl)-2-[[4-thiophen-2-yl-6-(trifluoromethyl)-2-pyrimidinyl]thio]acetamide IUPAC Name: N-(3-methoxy-5-nitrophenyl)-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide Traditional Name: N-(3-methoxy-5-nitro-phenyl)-2-[[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]acetamide Formula: C18H13F3N4O4S2 MolecularWeight: 470.44543

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CS3

Isomeric SMILES

COC1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CS3

InChI

InChI=1S/C18H13F3N4O4S2/c1-29-12-6-10(5-11(7-12)25(27)28)22-16(26)9-31-17-23-13(14-3-2-4-30-14)8-15(24-17)18(19,20)21/h2-8H,9H2,1H3,(H,22,26)