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

Systemtic Name: 2-[3-cyano-6-(4-methoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-pyrimidin-2-yl-ethanamide Openeye Name: 2-[[3-cyano-6-(4-methoxyphenyl)-4-(trifluoromethyl)-2-pyridyl]sulfanyl]-N-pyrimidin-2-yl-acetamide CAS Name: 2-[[3-cyano-6-(4-methoxyphenyl)-4-(trifluoromethyl)-2-pyridinyl]thio]-N-(2-pyrimidinyl)acetamide IUPAC Name: 2-[3-cyano-6-(4-methoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-pyrimidin-2-ylacetamide Traditional Name: 2-[[3-cyano-6-(4-methoxyphenyl)-4-(trifluoromethyl)-2-pyridyl]thio]-N-(2-pyrimidyl)acetamide Formula: C20H14F3N5O2S MolecularWeight: 445.41767

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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=CC=N3

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC(=O)NC3=NC=CC=N3

InChI

InChI=1S/C20H14F3N5O2S/c1-30-13-5-3-12(4-6-13)16-9-15(20(21,22)23)14(10-24)18(27-16)31-11-17(29)28-19-25-7-2-8-26-19/h2-9H,11H2,1H3,(H,25,26,28,29)