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

Systemtic Name: 2-[3-cyano-6-(4-methoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-pyridin-3-yl-ethanamide Openeye Name: 2-[[3-cyano-6-(4-methoxyphenyl)-4-(trifluoromethyl)-2-pyridyl]sulfanyl]-N-(3-pyridyl)acetamide CAS Name: 2-[[3-cyano-6-(4-methoxyphenyl)-4-(trifluoromethyl)-2-pyridinyl]thio]-N-(3-pyridinyl)acetamide IUPAC Name: 2-[3-cyano-6-(4-methoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-pyridin-3-ylacetamide Traditional Name: 2-[[3-cyano-6-(4-methoxyphenyl)-4-(trifluoromethyl)-2-pyridyl]thio]-N-(3-pyridyl)acetamide Formula: C21H15F3N4O2S MolecularWeight: 444.42961

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC(=O)NC3=CN=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC(=O)NC3=CN=CC=C3

InChI

InChI=1S/C21H15F3N4O2S/c1-30-15-6-4-13(5-7-15)18-9-17(21(22,23)24)16(10-25)20(28-18)31-12-19(29)27-14-3-2-8-26-11-14/h2-9,11H,12H2,1H3,(H,27,29)