triphenyl-(1-phenyl-3-sulfanylidene-5H-pyrimido[1,6-a]benzimidazol-4-yl)phosphanium chloride hydrate

Systemtic Name: triphenyl-(1-phenyl-3-sulfanylidene-5H-pyrimido[1,6-a]benzimidazol-4-yl)phosphanium chloride hydrate Openeye Name: triphenyl-(1-phenyl-3-thioxo-5H-pyrimido[1,6-a]benzimidazol-4-yl)phosphonium chloride hydrate CAS Name: triphenyl-(1-phenyl-3-sulfanylidene-5H-pyrimido[1,6-a]benzimidazol-4-yl)phosphonium chloride hydrate IUPAC Name: triphenyl-(1-phenyl-3-sulfanylidene-5H-pyrimido[1,6-a]benzimidazol-4-yl)phosphanium chloride hydrate Traditional Name: triphenyl-(1-phenyl-3-thioxo-5H-pyrimido[1,6-a]benzimidazol-4-yl)phosphonium chloride hydrate Formula: C34H27ClN3OPS MolecularWeight: 592.089441

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=S)C(=C3N2C4=CC=CC=C4N3)[P+](C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7.O.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=S)C(=C3N2C4=CC=CC=C4N3)[P+](C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7.O.[Cl-]

InChI

InChI=1S/C34H24N3PS.ClH.H2O/c39-34-31(33-35-29-23-13-14-24-30(29)37(33)32(36-34)25-15-5-1-6-16-25)38(26-17-7-2-8-18-26,27-19-9-3-10-20-27)28-21-11-4-12-22-28;;/h1-24H;1H;1H2