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

Systemtic Name: [2-(4-methylphenyl)-6-oxidanylidene-4-phenacylsulfanyl-1H-pyrimidin-5-yl]-triphenyl-phosphanium Openeye Name: [6-oxo-4-phenacylsulfanyl-2-(p-tolyl)-1H-pyrimidin-5-yl]-triphenyl-phosphonium CAS Name: [2-(4-methylphenyl)-6-oxo-4-(phenacylthio)-1H-pyrimidin-5-yl]-triphenylphosphonium IUPAC Name: [2-(4-methylphenyl)-6-oxo-4-phenacylsulfanyl-1H-pyrimidin-5-yl]-triphenylphosphanium Traditional Name: [6-keto-4-(phenacylthio)-2-(p-tolyl)-1H-pyrimidin-5-yl]-triphenyl-phosphonium Formula: C37H30N2O2PS+ MolecularWeight: 597.685061

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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)SCC(=O)C6=CC=CC=C6

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)SCC(=O)C6=CC=CC=C6

InChI

InChI=1S/C37H29N2O2PS/c1-27-22-24-29(25-23-27)35-38-36(41)34(37(39-35)43-26-33(40)28-14-6-2-7-15-28)42(30-16-8-3-9-17-30,31-18-10-4-11-19-31)32-20-12-5-13-21-32/h2-25H,26H2,1H3/p+1