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

Systemtic Name: 6-ethylsulfanyl-2-(4-methylphenyl)-5-triphenylphosphaniumyl-1,4-dihydropyrimidin-4-olate Openeye Name: 6-ethylsulfanyl-2-(p-tolyl)-5-triphenylphosphaniumyl-1,4-dihydropyrimidin-4-olate CAS Name: 6-(ethylthio)-2-(4-methylphenyl)-5-triphenylphosphiniumyl-1,4-dihydropyrimidin-4-olate IUPAC Name: 6-ethylsulfanyl-2-(4-methylphenyl)-5-triphenylphosphaniumyl-1,4-dihydropyrimidin-4-olate Traditional Name: 6-(ethylthio)-2-(p-tolyl)-5-triphenylphosphiniumyl-1,4-dihydropyrimidin-4-olate Formula: C31H29N2OPS MolecularWeight: 508.613521

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C(N=C(N1)C2=CC=C(C=C2)C)[O-])[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCSC1=C(C(N=C(N1)C2=CC=C(C=C2)C)[O-])[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H29N2OPS/c1-3-36-31-28(30(34)32-29(33-31)24-21-19-23(2)20-22-24)35(25-13-7-4-8-14-25,26-15-9-5-10-16-26)27-17-11-6-12-18-27/h4-22,30H,3H2,1-2H3,(H,32,33)