[2-(2,4-dichlorophenyl)-4-ethylsulfanyl-6-oxidanylidene-1H-pyrimidin-5-yl]-triphenyl-phosphanium iodide

Systemtic Name: [2-(2,4-dichlorophenyl)-4-ethylsulfanyl-6-oxidanylidene-1H-pyrimidin-5-yl]-triphenyl-phosphanium iodide Openeye Name: [2-(2,4-dichlorophenyl)-4-ethylsulfanyl-6-oxo-1H-pyrimidin-5-yl]-triphenyl-phosphonium iodide CAS Name: [2-(2,4-dichlorophenyl)-4-(ethylthio)-6-oxo-1H-pyrimidin-5-yl]-triphenylphosphonium iodide IUPAC Name: [2-(2,4-dichlorophenyl)-4-ethylsulfanyl-6-oxo-1H-pyrimidin-5-yl]-triphenylphosphanium iodide Traditional Name: [2-(2,4-dichlorophenyl)-4-(ethylthio)-6-keto-1H-pyrimidin-5-yl]-triphenyl-phosphonium iodide Formula: C30H24Cl2IN2OPS MolecularWeight: 689.373591

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C(=O)NC(=N1)C2=C(C=C(C=C2)Cl)Cl)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[I-]

Isomeric SMILES

CCSC1=C(C(=O)NC(=N1)C2=C(C=C(C=C2)Cl)Cl)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[I-]

InChI

InChI=1S/C30H23Cl2N2OPS.HI/c1-2-37-30-27(29(35)33-28(34-30)25-19-18-21(31)20-26(25)32)36(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24;/h3-20H,2H2,1H3;1H