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

Systemtic Name: [6-oxidanylidene-2-phenyl-4-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]-triphenyl-phosphanium chloride Openeye Name: (4-benzylsulfanyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)-triphenyl-phosphonium chloride CAS Name: [6-oxo-2-phenyl-4-(phenylmethylthio)-1H-pyrimidin-5-yl]-triphenylphosphonium chloride IUPAC Name: (4-benzylsulfanyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)-triphenylphosphanium chloride Traditional Name: [4-(benzylthio)-6-keto-2-phenyl-1H-pyrimidin-5-yl]-triphenyl-phosphonium chloride Formula: C35H28ClN2OPS MolecularWeight: 591.101381

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C(=O)NC(=N2)C3=CC=CC=C3)[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C(=O)NC(=N2)C3=CC=CC=C3)[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[Cl-]

InChI

InChI=1S/C35H27N2OPS.ClH/c38-34-32(35(40-26-27-16-6-1-7-17-27)37-33(36-34)28-18-8-2-9-19-28)39(29-20-10-3-11-21-29,30-22-12-4-13-23-30)31-24-14-5-15-25-31;/h1-25H,26H2;1H