(2-methyl-6-oxidanylidene-4-phenacylsulfanyl-1H-pyrimidin-5-yl)-triphenyl-phosphanium

Systemtic Name: (2-methyl-6-oxidanylidene-4-phenacylsulfanyl-1H-pyrimidin-5-yl)-triphenyl-phosphanium Openeye Name: (2-methyl-6-oxo-4-phenacylsulfanyl-1H-pyrimidin-5-yl)-triphenyl-phosphonium CAS Name: [2-methyl-6-oxo-4-(phenacylthio)-1H-pyrimidin-5-yl]-triphenylphosphonium IUPAC Name: (2-methyl-6-oxo-4-phenacylsulfanyl-1H-pyrimidin-5-yl)-triphenylphosphanium Traditional Name: [6-keto-2-methyl-4-(phenacylthio)-1H-pyrimidin-5-yl]-triphenyl-phosphonium Formula: C31H26N2O2PS+ MolecularWeight: 521.589101

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=O)N1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)SCC(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=NC(=C(C(=O)N1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)SCC(=O)C5=CC=CC=C5

InChI

InChI=1S/C31H25N2O2PS/c1-23-32-30(35)29(31(33-23)37-22-28(34)24-14-6-2-7-15-24)36(25-16-8-3-9-17-25,26-18-10-4-11-19-26)27-20-12-5-13-21-27/h2-21H,22H2,1H3/p+1