[3-(cyanomethylsulfanyl)-1-phenyl-pyrimido[1,6-a]benzimidazol-4-yl]-triphenyl-phosphanium chloride

Systemtic Name: [3-(cyanomethylsulfanyl)-1-phenyl-pyrimido[1,6-a]benzimidazol-4-yl]-triphenyl-phosphanium chloride Openeye Name: [3-(cyanomethylsulfanyl)-1-phenyl-pyrimido[1,6-a]benzimidazol-4-yl]-triphenyl-phosphonium chloride CAS Name: [3-(cyanomethylthio)-1-phenyl-4-pyrimido[1,6-a]benzimidazolyl]-triphenylphosphonium chloride IUPAC Name: [3-(cyanomethylsulfanyl)-1-phenylpyrimido[1,6-a]benzimidazol-4-yl]-triphenylphosphanium chloride Traditional Name: [3-(cyanomethylthio)-1-phenyl-pyrimido[1,6-a]benzimidazol-4-yl]-triphenyl-phosphonium chloride Formula: C36H26ClN4PS MolecularWeight: 613.110201

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=C(C3=NC4=CC=CC=C4N23)[P+](C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)SCC#N.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=C(C3=NC4=CC=CC=C4N23)[P+](C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)SCC#N.[Cl-]

InChI

InChI=1S/C36H26N4PS.ClH/c37-25-26-42-36-33(35-38-31-23-13-14-24-32(31)40(35)34(39-36)27-15-5-1-6-16-27)41(28-17-7-2-8-18-28,29-19-9-3-10-20-29)30-21-11-4-12-22-30;/h1-24H,26H2;1H/q+1;/p-1