N-(3,4-dimethoxyphenyl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(3,4-dimethoxyphenyl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-(3,4-dimethoxyphenyl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-(3,4-dimethoxyphenyl)-2-[[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]acetamide IUPAC Name: N-(3,4-dimethoxyphenyl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide Traditional Name: N-(3,4-dimethoxyphenyl)-2-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]acetamide Formula: C21H18F3N3O3S MolecularWeight: 449.44613

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3)OC

InChI

InChI=1S/C21H18F3N3O3S/c1-29-16-9-8-14(10-17(16)30-2)25-19(28)12-31-20-26-15(13-6-4-3-5-7-13)11-18(27-20)21(22,23)24/h3-11H,12H2,1-2H3,(H,25,28)