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

Systemtic Name: 2-[3-cyano-6-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-cyclopropyl-ethanamide Openeye Name: 2-[[3-cyano-6-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)-2-pyridyl]sulfanyl]-N-cyclopropyl-acetamide CAS Name: 2-[[3-cyano-6-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)-2-pyridinyl]thio]-N-cyclopropylacetamide IUPAC Name: 2-[3-cyano-6-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-cyclopropylacetamide Traditional Name: 2-[[3-cyano-6-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)-2-pyridyl]thio]-N-cyclopropyl-acetamide Formula: C20H18F3N3O3S MolecularWeight: 437.43543

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC(=O)NC3CC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC(=O)NC3CC3)OC

InChI

InChI=1S/C20H18F3N3O3S/c1-28-16-6-3-11(7-17(16)29-2)15-8-14(20(21,22)23)13(9-24)19(26-15)30-10-18(27)25-12-4-5-12/h3,6-8,12H,4-5,10H2,1-2H3,(H,25,27)