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

Systemtic Name: (3-methylsulfanyl-1-phenyl-pyrimido[1,6-a]benzimidazol-4-yl)-triphenyl-phosphanium iodide Openeye Name: (3-methylsulfanyl-1-phenyl-pyrimido[1,6-a]benzimidazol-4-yl)-triphenyl-phosphonium iodide CAS Name: [3-(methylthio)-1-phenyl-4-pyrimido[1,6-a]benzimidazolyl]-triphenylphosphonium iodide IUPAC Name: (3-methylsulfanyl-1-phenylpyrimido[1,6-a]benzimidazol-4-yl)-triphenylphosphanium iodide Traditional Name: [3-(methylthio)-1-phenyl-pyrimido[1,6-a]benzimidazol-4-yl]-triphenyl-phosphonium iodide Formula: C35H27IN3PS MolecularWeight: 679.552211

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C2=NC3=CC=CC=C3N2C(=N1)C4=CC=CC=C4)[P+](C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7.[I-]

Isomeric SMILES

CSC1=C(C2=NC3=CC=CC=C3N2C(=N1)C4=CC=CC=C4)[P+](C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7.[I-]

InChI

InChI=1S/C35H27N3PS.HI/c1-40-35-32(34-36-30-24-14-15-25-31(30)38(34)33(37-35)26-16-6-2-7-17-26)39(27-18-8-3-9-19-27,28-20-10-4-11-21-28)29-22-12-5-13-23-29;/h2-25H,1H3;1H/q+1;/p-1