(6-oxidanylidene-2-propyl-4-sulfanylidene-1H-pyrimidin-5-yl)-triphenyl-phosphanium chloride

Systemtic Name: (6-oxidanylidene-2-propyl-4-sulfanylidene-1H-pyrimidin-5-yl)-triphenyl-phosphanium chloride Openeye Name: (6-oxo-2-propyl-4-thioxo-1H-pyrimidin-5-yl)-triphenyl-phosphonium chloride CAS Name: (6-oxo-2-propyl-4-sulfanylidene-1H-pyrimidin-5-yl)-triphenylphosphonium chloride IUPAC Name: (6-oxo-2-propyl-4-sulfanylidene-1H-pyrimidin-5-yl)-triphenylphosphanium chloride Traditional Name: (6-keto-2-propyl-4-thioxo-1H-pyrimidin-5-yl)-triphenyl-phosphonium chloride Formula: C25H24ClN2OPS MolecularWeight: 466.962621

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=S)C(C(=O)N1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

CCCC1=NC(=S)C(C(=O)N1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C25H23N2OPS.ClH/c1-2-12-22-26-24(28)23(25(30)27-22)29(19-13-6-3-7-14-19,20-15-8-4-9-16-20)21-17-10-5-11-18-21;/h3-11,13-18,23H,2,12H2,1H3;1H