2-[4-(4-bromophenyl)pyrimidin-2-yl]sulfanyl-1-(2,5-dimethoxyphenyl)ethanone

Systemtic Name: 2-[4-(4-bromophenyl)pyrimidin-2-yl]sulfanyl-1-(2,5-dimethoxyphenyl)ethanone Openeye Name: 2-[4-(4-bromophenyl)pyrimidin-2-yl]sulfanyl-1-(2,5-dimethoxyphenyl)ethanone CAS Name: 2-[[4-(4-bromophenyl)-2-pyrimidinyl]thio]-1-(2,5-dimethoxyphenyl)ethanone IUPAC Name: 2-[4-(4-bromophenyl)pyrimidin-2-yl]sulfanyl-1-(2,5-dimethoxyphenyl)ethanone Traditional Name: 2-[[4-(4-bromophenyl)pyrimidin-2-yl]thio]-1-(2,5-dimethoxyphenyl)ethanone Formula: C20H17BrN2O3S MolecularWeight: 445.32958

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C(=O)CSC2=NC=CC(=N2)C3=CC=C(C=C3)Br

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C(=O)CSC2=NC=CC(=N2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H17BrN2O3S/c1-25-15-7-8-19(26-2)16(11-15)18(24)12-27-20-22-10-9-17(23-20)13-3-5-14(21)6-4-13/h3-11H,12H2,1-2H3