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

Systemtic Name: [1-(4-methylphenyl)-3-(phenylmethylsulfanyl)pyrimido[1,6-a]benzimidazol-4-yl]-triphenyl-phosphanium Openeye Name: [3-benzylsulfanyl-1-(p-tolyl)pyrimido[1,6-a]benzimidazol-4-yl]-triphenyl-phosphonium CAS Name: [1-(4-methylphenyl)-3-(phenylmethylthio)-4-pyrimido[1,6-a]benzimidazolyl]-triphenylphosphonium IUPAC Name: [3-benzylsulfanyl-1-(4-methylphenyl)pyrimido[1,6-a]benzimidazol-4-yl]-triphenylphosphanium Traditional Name: [3-(benzylthio)-1-(p-tolyl)pyrimido[1,6-a]benzimidazol-4-yl]-triphenyl-phosphonium Formula: C42H33N3PS+ MolecularWeight: 642.770281

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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)SCC8=CC=CC=C8

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)SCC8=CC=CC=C8

InChI

InChI=1S/C42H33N3PS/c1-31-26-28-33(29-27-31)40-44-42(47-30-32-16-6-2-7-17-32)39(41-43-37-24-14-15-25-38(37)45(40)41)46(34-18-8-3-9-19-34,35-20-10-4-11-21-35)36-22-12-5-13-23-36/h2-29H,30H2,1H3/q+1