[1-(4-methylphenyl)-3-prop-2-enylsulfanyl-pyrimido[1,6-a]benzimidazol-4-yl]-triphenyl-phosphanium bromide

Systemtic Name: [1-(4-methylphenyl)-3-prop-2-enylsulfanyl-pyrimido[1,6-a]benzimidazol-4-yl]-triphenyl-phosphanium bromide Openeye Name: [3-allylsulfanyl-1-(p-tolyl)pyrimido[1,6-a]benzimidazol-4-yl]-triphenyl-phosphonium bromide CAS Name: [1-(4-methylphenyl)-3-(prop-2-enylthio)-4-pyrimido[1,6-a]benzimidazolyl]-triphenylphosphonium bromide IUPAC Name: [1-(4-methylphenyl)-3-prop-2-enylsulfanylpyrimido[1,6-a]benzimidazol-4-yl]-triphenylphosphanium bromide Traditional Name: [3-(allylthio)-1-(p-tolyl)pyrimido[1,6-a]benzimidazol-4-yl]-triphenyl-phosphonium bromide Formula: C38H31BrN3PS MolecularWeight: 672.615601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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=C.[Br-]

Isomeric SMILES

CC1=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=C.[Br-]

InChI

InChI=1S/C38H31N3PS.BrH/c1-3-27-43-38-35(37-39-33-21-13-14-22-34(33)41(37)36(40-38)29-25-23-28(2)24-26-29)42(30-15-7-4-8-16-30,31-17-9-5-10-18-31)32-19-11-6-12-20-32;/h3-26H,1,27H2,2H3;1H/q+1;/p-1