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

Systemtic Name: 2-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-pyridin-3-yl-ethanamide Openeye Name: 2-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(3-pyridyl)acetamide CAS Name: 2-[[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-N-(3-pyridinyl)acetamide IUPAC Name: 2-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-pyridin-3-ylacetamide Traditional Name: 2-[[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]-N-(3-pyridyl)acetamide Formula: C20H17F3N4O3S MolecularWeight: 450.43419

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(=NC(=N2)SCC(=O)NC3=CN=CC=C3)C(F)(F)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=NC(=N2)SCC(=O)NC3=CN=CC=C3)C(F)(F)F)OC

InChI

InChI=1S/C20H17F3N4O3S/c1-29-15-6-5-12(8-16(15)30-2)14-9-17(20(21,22)23)27-19(26-14)31-11-18(28)25-13-4-3-7-24-10-13/h3-10H,11H2,1-2H3,(H,25,28)