[4-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-6-oxidanylidene-2-phenyl-1H-pyrimidin-5-yl]-triphenyl-phosphanium chloride

Systemtic Name: [4-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-6-oxidanylidene-2-phenyl-1H-pyrimidin-5-yl]-triphenyl-phosphanium chloride Openeye Name: [4-(2-ethoxy-2-oxo-ethyl)sulfanyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl]-triphenyl-phosphonium chloride CAS Name: [4-[(2-ethoxy-2-oxoethyl)thio]-6-oxo-2-phenyl-1H-pyrimidin-5-yl]-triphenylphosphonium chloride IUPAC Name: [4-(2-ethoxy-2-oxoethyl)sulfanyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl]-triphenylphosphanium chloride Traditional Name: [4-[(2-ethoxy-2-keto-ethyl)thio]-6-keto-2-phenyl-1H-pyrimidin-5-yl]-triphenyl-phosphonium chloride Formula: C32H28ClN2O3PS MolecularWeight: 587.068081

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C(=O)NC(=N1)C2=CC=CC=C2)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Cl-]

Isomeric SMILES

CCOC(=O)CSC1=C(C(=O)NC(=N1)C2=CC=CC=C2)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Cl-]

InChI

InChI=1S/C32H27N2O3PS.ClH/c1-2-37-28(35)23-39-32-29(31(36)33-30(34-32)24-15-7-3-8-16-24)38(25-17-9-4-10-18-25,26-19-11-5-12-20-26)27-21-13-6-14-22-27;/h3-22H,2,23H2,1H3;1H