N-(5-bromanylpyridin-2-yl)-2-[3-cyano-6-(4-methoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(5-bromanylpyridin-2-yl)-2-[3-cyano-6-(4-methoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(5-bromo-2-pyridyl)-2-[[3-cyano-6-(4-methoxyphenyl)-4-(trifluoromethyl)-2-pyridyl]sulfanyl]acetamide CAS Name: N-(5-bromo-2-pyridinyl)-2-[[3-cyano-6-(4-methoxyphenyl)-4-(trifluoromethyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-(5-bromopyridin-2-yl)-2-[3-cyano-6-(4-methoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetamide Traditional Name: N-(5-bromo-2-pyridyl)-2-[[3-cyano-6-(4-methoxyphenyl)-4-(trifluoromethyl)-2-pyridyl]thio]acetamide Formula: C21H14BrF3N4O2S MolecularWeight: 523.32567

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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=NC=C(C=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H14BrF3N4O2S/c1-31-14-5-2-12(3-6-14)17-8-16(21(23,24)25)15(9-26)20(28-17)32-11-19(30)29-18-7-4-13(22)10-27-18/h2-8,10H,11H2,1H3,(H,27,29,30)