2-(2,4-dichlorophenyl)-4-sulfanylidene-5-triphenylphosphaniumyl-1H-pyrimidin-6-olate

Systemtic Name: 2-(2,4-dichlorophenyl)-4-sulfanylidene-5-triphenylphosphaniumyl-1H-pyrimidin-6-olate Openeye Name: 2-(2,4-dichlorophenyl)-4-thioxo-5-triphenylphosphaniumyl-1H-pyrimidin-6-olate CAS Name: 2-(2,4-dichlorophenyl)-4-sulfanylidene-5-triphenylphosphiniumyl-1H-pyrimidin-6-olate IUPAC Name: 2-(2,4-dichlorophenyl)-4-sulfanylidene-5-triphenylphosphaniumyl-1H-pyrimidin-6-olate Traditional Name: 2-(2,4-dichlorophenyl)-4-thioxo-5-triphenylphosphiniumyl-1H-pyrimidin-6-olate Formula: C28H19Cl2N2OPS MolecularWeight: 533.408021

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=C(NC(=NC4=S)C5=C(C=C(C=C5)Cl)Cl)[O-]

Isomeric SMILES

C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=C(NC(=NC4=S)C5=C(C=C(C=C5)Cl)Cl)[O-]

InChI

InChI=1S/C28H19Cl2N2OPS/c29-19-16-17-23(24(30)18-19)26-31-27(33)25(28(35)32-26)34(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-18H,(H-,31,32,33,35)