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

Systemtic Name: (6-oxidanylidene-2-phenyl-4-sulfanyl-1H-pyrimidin-5-yl)-triphenyl-phosphanium chloride Openeye Name: (6-oxo-2-phenyl-4-sulfanyl-1H-pyrimidin-5-yl)-triphenyl-phosphonium chloride CAS Name: (4-mercapto-6-oxo-2-phenyl-1H-pyrimidin-5-yl)-triphenylphosphonium chloride IUPAC Name: (6-oxo-2-phenyl-4-sulfanyl-1H-pyrimidin-5-yl)-triphenylphosphanium chloride Traditional Name: (6-keto-4-mercapto-2-phenyl-1H-pyrimidin-5-yl)-triphenyl-phosphonium chloride Formula: C28H22ClN2OPS MolecularWeight: 500.978841

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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)S.[Cl-]

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)S.[Cl-]

InChI

InChI=1S/C28H21N2OPS.ClH/c31-27-25(28(33)30-26(29-27)21-13-5-1-6-14-21)32(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;/h1-20H,(H-,29,30,31,33);1H