N-(4-cyanophenyl)-2-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-cyanophenyl)-2-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-cyanophenyl)-2-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-(4-cyanophenyl)-2-[[4-(4-methoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]acetamide IUPAC Name: N-(4-cyanophenyl)-2-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide Traditional Name: N-(4-cyanophenyl)-2-[[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]acetamide Formula: C21H15F3N4O2S MolecularWeight: 444.42961

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(=O)NC3=CC=C(C=C3)C#N)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(=O)NC3=CC=C(C=C3)C#N)C(F)(F)F

InChI

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