[4-(cyanomethylsulfanyl)-6-oxidanylidene-2-phenyl-1H-pyrimidin-5-yl]-triphenyl-phosphanium iodide

Systemtic Name: [4-(cyanomethylsulfanyl)-6-oxidanylidene-2-phenyl-1H-pyrimidin-5-yl]-triphenyl-phosphanium iodide Openeye Name: [4-(cyanomethylsulfanyl)-6-oxo-2-phenyl-1H-pyrimidin-5-yl]-triphenyl-phosphonium iodide CAS Name: [4-(cyanomethylthio)-6-oxo-2-phenyl-1H-pyrimidin-5-yl]-triphenylphosphonium iodide IUPAC Name: [4-(cyanomethylsulfanyl)-6-oxo-2-phenyl-1H-pyrimidin-5-yl]-triphenylphosphanium iodide Traditional Name: [4-(cyanomethylthio)-6-keto-2-phenyl-1H-pyrimidin-5-yl]-triphenyl-phosphonium iodide Formula: C30H23IN3OPS MolecularWeight: 631.466351

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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)SCC#N.[I-]

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)SCC#N.[I-]

InChI

InChI=1S/C30H22N3OPS.HI/c31-21-22-36-30-27(29(34)32-28(33-30)23-13-5-1-6-14-23)35(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26;/h1-20H,22H2;1H