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

Systemtic Name: N-(4-bromophenyl)-2-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-bromophenyl)-2-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-(4-bromophenyl)-2-[[4-(4-methoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]acetamide IUPAC Name: N-(4-bromophenyl)-2-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide Traditional Name: N-(4-bromophenyl)-2-[[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]acetamide Formula: C20H15BrF3N3O2S MolecularWeight: 498.31621

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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)Br)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C20H15BrF3N3O2S/c1-29-15-8-2-12(3-9-15)16-10-17(20(22,23)24)27-19(26-16)30-11-18(28)25-14-6-4-13(21)5-7-14/h2-10H,11H2,1H3,(H,25,28)