(4-ethylsulfanyl-6-oxidanylidene-2-phenyl-1,3-diazinan-5-yl)-triphenyl-phosphanium iodide

Systemtic Name: (4-ethylsulfanyl-6-oxidanylidene-2-phenyl-1,3-diazinan-5-yl)-triphenyl-phosphanium iodide Openeye Name: (4-ethylsulfanyl-6-oxo-2-phenyl-hexahydropyrimidin-5-yl)-triphenyl-phosphonium iodide CAS Name: [4-(ethylthio)-6-oxo-2-phenyl-1,3-diazinan-5-yl]-triphenylphosphonium iodide IUPAC Name: (4-ethylsulfanyl-6-oxo-2-phenyl-1,3-diazinan-5-yl)-triphenylphosphanium iodide Traditional Name: [4-(ethylthio)-6-keto-2-phenyl-hexahydropyrimidin-5-yl]-triphenyl-phosphonium iodide Formula: C30H30IN2OPS MolecularWeight: 624.515231

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1C(C(=O)NC(N1)C2=CC=CC=C2)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[I-]

Isomeric SMILES

CCSC1C(C(=O)NC(N1)C2=CC=CC=C2)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[I-]

InChI

InChI=1S/C30H29N2OPS.HI/c1-2-35-30-27(29(33)31-28(32-30)23-15-7-3-8-16-23)34(24-17-9-4-10-18-24,25-19-11-5-12-20-25)26-21-13-6-14-22-26;/h3-22,27-28,30,32H,2H2,1H3;1H