6-[(2-chlorophenyl)methylsulfanyl]-2-phenyl-5-triphenylphosphaniumyl-pyrimidin-4-olate

Systemtic Name: 6-[(2-chlorophenyl)methylsulfanyl]-2-phenyl-5-triphenylphosphaniumyl-pyrimidin-4-olate Openeye Name: 6-[(2-chlorophenyl)methylsulfanyl]-2-phenyl-5-triphenylphosphaniumyl-pyrimidin-4-olate CAS Name: 6-[(2-chlorophenyl)methylthio]-2-phenyl-5-triphenylphosphiniumyl-4-pyrimidinolate IUPAC Name: 6-[(2-chlorophenyl)methylsulfanyl]-2-phenyl-5-triphenylphosphaniumylpyrimidin-4-olate Traditional Name: 6-[(2-chlorobenzyl)thio]-2-phenyl-5-triphenylphosphiniumyl-pyrimidin-4-olate Formula: C35H26ClN2OPS MolecularWeight: 589.085501

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=C(C(=N2)SCC3=CC=CC=C3Cl)[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=C(C(=N2)SCC3=CC=CC=C3Cl)[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)[O-]

InChI

InChI=1S/C35H26ClN2OPS/c36-31-24-14-13-17-27(31)25-41-35-32(34(39)37-33(38-35)26-15-5-1-6-16-26)40(28-18-7-2-8-19-28,29-20-9-3-10-21-29)30-22-11-4-12-23-30/h1-24H,25H2