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

Systemtic Name: [3-butylsulfanyl-1-(4-methylphenyl)pyrimido[1,6-a]benzimidazol-4-yl]-triphenyl-phosphanium Openeye Name: [3-butylsulfanyl-1-(p-tolyl)pyrimido[1,6-a]benzimidazol-4-yl]-triphenyl-phosphonium CAS Name: [3-(butylthio)-1-(4-methylphenyl)-4-pyrimido[1,6-a]benzimidazolyl]-triphenylphosphonium IUPAC Name: [3-butylsulfanyl-1-(4-methylphenyl)pyrimido[1,6-a]benzimidazol-4-yl]-triphenylphosphanium Traditional Name: [3-(butylthio)-1-(p-tolyl)pyrimido[1,6-a]benzimidazol-4-yl]-triphenyl-phosphonium Formula: C39H35N3PS+ MolecularWeight: 608.754061

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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

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

InChI

InChI=1S/C39H35N3PS/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/q+1