6-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-3-phenyl-1H-pyrimidin-3-ium-4-one bromide

Systemtic Name: 6-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-3-phenyl-1H-pyrimidin-3-ium-4-one bromide Openeye Name: 6-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-3-phenyl-1H-pyrimidin-3-ium-4-one bromide CAS Name: 6-(4-methoxyphenyl)-2-[[2-(4-methoxyphenyl)-2-oxoethyl]thio]-3-phenyl-1H-pyrimidin-3-ium-4-one bromide IUPAC Name: 6-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-3-phenyl-1H-pyrimidin-3-ium-4-one bromide Traditional Name: 2-[[2-keto-2-(4-methoxyphenyl)ethyl]thio]-6-(4-methoxyphenyl)-3-phenyl-1H-pyrimidin-3-ium-4-one bromide Formula: C26H23BrN2O4S MolecularWeight: 539.44082

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=O)[N+](=C(N2)SCC(=O)C3=CC=C(C=C3)OC)C4=CC=CC=C4.[Br-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=O)[N+](=C(N2)SCC(=O)C3=CC=C(C=C3)OC)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C26H22N2O4S.BrH/c1-31-21-12-8-18(9-13-21)23-16-25(30)28(20-6-4-3-5-7-20)26(27-23)33-17-24(29)19-10-14-22(32-2)15-11-19;/h3-16H,17H2,1-2H3;1H