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

Systemtic Name: [3-butylsulfanyl-1-(4-methylphenyl)pyrimido[1,6-a]benzimidazol-4-yl]-triphenyl-phosphanium iodide Openeye Name: [3-butylsulfanyl-1-(p-tolyl)pyrimido[1,6-a]benzimidazol-4-yl]-triphenyl-phosphonium iodide CAS Name: [3-(butylthio)-1-(4-methylphenyl)-4-pyrimido[1,6-a]benzimidazolyl]-triphenylphosphonium iodide IUPAC Name: [3-butylsulfanyl-1-(4-methylphenyl)pyrimido[1,6-a]benzimidazol-4-yl]-triphenylphosphanium iodide Traditional Name: [3-(butylthio)-1-(p-tolyl)pyrimido[1,6-a]benzimidazol-4-yl]-triphenyl-phosphonium iodide Formula: C39H35IN3PS MolecularWeight: 735.658531

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(C2=NC3=CC=CC=C3N2C(=N1)C4=CC=C(C=C4)C)[P+](C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7.[I-]

Isomeric SMILES

CCCCSC1=C(C2=NC3=CC=CC=C3N2C(=N1)C4=CC=C(C=C4)C)[P+](C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7.[I-]

InChI

InChI=1S/C39H35N3PS.HI/c1-3-4-28-44-39-36(38-40-34-22-14-15-23-35(34)42(38)37(41-39)30-26-24-29(2)25-27-30)43(31-16-8-5-9-17-31,32-18-10-6-11-19-32)33-20-12-7-13-21-33;/h5-27H,3-4,28H2,1-2H3;1H/q+1;/p-1