[4-[(2-chlorophenyl)methylsulfanyl]-6-oxidanylidene-2-phenyl-1H-pyrimidin-5-yl]-triphenyl-phosphanium

Systemtic Name: [4-[(2-chlorophenyl)methylsulfanyl]-6-oxidanylidene-2-phenyl-1H-pyrimidin-5-yl]-triphenyl-phosphanium Openeye Name: [4-[(2-chlorophenyl)methylsulfanyl]-6-oxo-2-phenyl-1H-pyrimidin-5-yl]-triphenyl-phosphonium CAS Name: [4-[(2-chlorophenyl)methylthio]-6-oxo-2-phenyl-1H-pyrimidin-5-yl]-triphenylphosphonium IUPAC Name: [4-[(2-chlorophenyl)methylsulfanyl]-6-oxo-2-phenyl-1H-pyrimidin-5-yl]-triphenylphosphanium Traditional Name: [4-[(2-chlorobenzyl)thio]-6-keto-2-phenyl-1H-pyrimidin-5-yl]-triphenyl-phosphonium Formula: C35H27ClN2OPS+ MolecularWeight: 590.093441

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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)SCC6=CC=CC=C6Cl

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)SCC6=CC=CC=C6Cl

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/p+1