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

Systemtic Name: [4-(1H-benzimidazol-2-ylmethylsulfanyl)-6-oxidanylidene-2-phenyl-1H-pyrimidin-5-yl]-triphenyl-phosphanium Openeye Name: [4-(1H-benzimidazol-2-ylmethylsulfanyl)-6-oxo-2-phenyl-1H-pyrimidin-5-yl]-triphenyl-phosphonium CAS Name: [4-(1H-benzimidazol-2-ylmethylthio)-6-oxo-2-phenyl-1H-pyrimidin-5-yl]-triphenylphosphonium IUPAC Name: [4-(1H-benzimidazol-2-ylmethylsulfanyl)-6-oxo-2-phenyl-1H-pyrimidin-5-yl]-triphenylphosphanium Traditional Name: [4-(1H-benzimidazol-2-ylmethylthio)-6-keto-2-phenyl-1H-pyrimidin-5-yl]-triphenyl-phosphonium Formula: C36H28N4OPS+ MolecularWeight: 595.672481

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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)SCC6=NC7=CC=CC=C7N6

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)SCC6=NC7=CC=CC=C7N6

InChI

InChI=1S/C36H27N4OPS/c41-35-33(42(27-17-7-2-8-18-27,28-19-9-3-10-20-28)29-21-11-4-12-22-29)36(40-34(39-35)26-15-5-1-6-16-26)43-25-32-37-30-23-13-14-24-31(30)38-32/h1-24H,25H2,(H-,37,38,39,40,41)/p+1