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

Systemtic Name: [2-(4-methylphenyl)-6-oxidanylidene-4-sulfanyl-1H-pyrimidin-5-yl]-triphenyl-phosphanium Openeye Name: [6-oxo-2-(p-tolyl)-4-sulfanyl-1H-pyrimidin-5-yl]-triphenyl-phosphonium CAS Name: [4-mercapto-2-(4-methylphenyl)-6-oxo-1H-pyrimidin-5-yl]-triphenylphosphonium IUPAC Name: [2-(4-methylphenyl)-6-oxo-4-sulfanyl-1H-pyrimidin-5-yl]-triphenylphosphanium Traditional Name: [6-keto-4-mercapto-2-(p-tolyl)-1H-pyrimidin-5-yl]-triphenyl-phosphonium Formula: C29H24N2OPS+ MolecularWeight: 479.552421

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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

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

InChI

InChI=1S/C29H23N2OPS/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)/p+1