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

Systemtic Name: [4-(cyanomethylsulfanyl)-6-oxidanylidene-2-phenyl-1H-pyrimidin-5-yl]-triphenyl-phosphanium Openeye Name: [4-(cyanomethylsulfanyl)-6-oxo-2-phenyl-1H-pyrimidin-5-yl]-triphenyl-phosphonium CAS Name: [4-(cyanomethylthio)-6-oxo-2-phenyl-1H-pyrimidin-5-yl]-triphenylphosphonium IUPAC Name: [4-(cyanomethylsulfanyl)-6-oxo-2-phenyl-1H-pyrimidin-5-yl]-triphenylphosphanium Traditional Name: [4-(cyanomethylthio)-6-keto-2-phenyl-1H-pyrimidin-5-yl]-triphenyl-phosphonium Formula: C30H23N3OPS+ MolecularWeight: 504.561881

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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

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

InChI

InChI=1S/C30H22N3OPS/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/p+1