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

Systemtic Name: (6-oxidanylidene-4-phenacylsulfanyl-2-phenyl-1H-pyrimidin-5-yl)-triphenyl-phosphanium Openeye Name: (6-oxo-4-phenacylsulfanyl-2-phenyl-1H-pyrimidin-5-yl)-triphenyl-phosphonium CAS Name: [6-oxo-4-(phenacylthio)-2-phenyl-1H-pyrimidin-5-yl]-triphenylphosphonium IUPAC Name: (6-oxo-4-phenacylsulfanyl-2-phenyl-1H-pyrimidin-5-yl)-triphenylphosphanium Traditional Name: [6-keto-4-(phenacylthio)-2-phenyl-1H-pyrimidin-5-yl]-triphenyl-phosphonium Formula: C36H28N2O2PS+ MolecularWeight: 583.658481

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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

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

InChI

InChI=1S/C36H27N2O2PS/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/p+1