2-(4-methylphenyl)-6-methylsulfanyl-5-triphenylphosphaniumyl-1,4-dihydropyrimidin-4-olate

Systemtic Name: 2-(4-methylphenyl)-6-methylsulfanyl-5-triphenylphosphaniumyl-1,4-dihydropyrimidin-4-olate Openeye Name: 6-methylsulfanyl-2-(p-tolyl)-5-triphenylphosphaniumyl-1,4-dihydropyrimidin-4-olate CAS Name: 2-(4-methylphenyl)-6-(methylthio)-5-triphenylphosphiniumyl-1,4-dihydropyrimidin-4-olate IUPAC Name: 2-(4-methylphenyl)-6-methylsulfanyl-5-triphenylphosphaniumyl-1,4-dihydropyrimidin-4-olate Traditional Name: 6-(methylthio)-2-(p-tolyl)-5-triphenylphosphiniumyl-1,4-dihydropyrimidin-4-olate Formula: C30H27N2OPS MolecularWeight: 494.586941

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(C(=C(N2)SC)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(C(=C(N2)SC)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)[O-]

InChI

InChI=1S/C30H27N2OPS/c1-22-18-20-23(21-19-22)28-31-29(33)27(30(32-28)35-2)34(24-12-6-3-7-13-24,25-14-8-4-9-15-25)26-16-10-5-11-17-26/h3-21,29H,1-2H3,(H,31,32)