(6-oxidanylidene-4-phenacylsulfanyl-2-phenyl-1H-pyrimidin-5-yl)-triphenyl-phosphanium bromide

Systemtic Name: (6-oxidanylidene-4-phenacylsulfanyl-2-phenyl-1H-pyrimidin-5-yl)-triphenyl-phosphanium bromide Openeye Name: (6-oxo-4-phenacylsulfanyl-2-phenyl-1H-pyrimidin-5-yl)-triphenyl-phosphonium bromide CAS Name: [6-oxo-4-(phenacylthio)-2-phenyl-1H-pyrimidin-5-yl]-triphenylphosphonium bromide IUPAC Name: (6-oxo-4-phenacylsulfanyl-2-phenyl-1H-pyrimidin-5-yl)-triphenylphosphanium bromide Traditional Name: [6-keto-4-(phenacylthio)-2-phenyl-1H-pyrimidin-5-yl]-triphenyl-phosphonium bromide Formula: C36H28BrN2O2PS MolecularWeight: 663.562481

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=C(C(=O)N2)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)SCC(=O)C6=CC=CC=C6.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=C(C(=O)N2)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)SCC(=O)C6=CC=CC=C6.[Br-]

InChI

InChI=1S/C36H27N2O2PS.BrH/c39-32(27-16-6-1-7-17-27)26-42-36-33(35(40)37-34(38-36)28-18-8-2-9-19-28)41(29-20-10-3-11-21-29,30-22-12-4-13-23-30)31-24-14-5-15-25-31;/h1-25H,26H2;1H