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

Systemtic Name: [2-(4-methylphenyl)-6-oxidanylidene-4-sulfanyl-1H-pyrimidin-5-yl]-triphenyl-phosphanium chloride Openeye Name: [6-oxo-2-(p-tolyl)-4-sulfanyl-1H-pyrimidin-5-yl]-triphenyl-phosphonium chloride CAS Name: [4-mercapto-2-(4-methylphenyl)-6-oxo-1H-pyrimidin-5-yl]-triphenylphosphonium chloride IUPAC Name: [2-(4-methylphenyl)-6-oxo-4-sulfanyl-1H-pyrimidin-5-yl]-triphenylphosphanium chloride Traditional Name: [6-keto-4-mercapto-2-(p-tolyl)-1H-pyrimidin-5-yl]-triphenyl-phosphonium chloride Formula: C29H24ClN2OPS MolecularWeight: 515.005421

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C29H23N2OPS.ClH/c1-21-17-19-22(20-18-21)27-30-28(32)26(29(34)31-27)33(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25;/h2-20H,1H3,(H-,30,31,32,34);1H