triphenyl-(2-phenyl-1-sulfanylidene-pyrimido[1,6-a]benzimidazol-4-yl)phosphanium perchlorate

Systemtic Name: triphenyl-(2-phenyl-1-sulfanylidene-pyrimido[1,6-a]benzimidazol-4-yl)phosphanium perchlorate Openeye Name: triphenyl-(2-phenyl-1-thioxo-pyrimido[1,6-a]benzimidazol-4-yl)phosphonium perchlorate CAS Name: triphenyl-(2-phenyl-1-sulfanylidene-4-pyrimido[1,6-a]benzimidazolyl)phosphonium perchlorate IUPAC Name: triphenyl-(2-phenyl-1-sulfanylidenepyrimido[1,6-a]benzimidazol-4-yl)phosphanium perchlorate Traditional Name: triphenyl-(2-phenyl-1-thioxo-pyrimido[1,6-a]benzimidazol-4-yl)phosphonium perchlorate Formula: C34H25ClN3O4PS MolecularWeight: 638.071761

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C3=NC4=CC=CC=C4N3C2=S)[P+](C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C3=NC4=CC=CC=C4N3C2=S)[P+](C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C34H25N3PS.ClHO4/c39-34-36(26-15-5-1-6-16-26)25-32(33-35-30-23-13-14-24-31(30)37(33)34)38(27-17-7-2-8-18-27,28-19-9-3-10-20-28)29-21-11-4-12-22-29;2-1(3,4)5/h1-25H;(H,2,3,4,5)/q+1;/p-1