(4-ethylsulfanyl-6-oxidanylidene-2-phenyl-1H-pyrimidin-5-yl)-triphenyl-phosphanium iodide

Systemtic Name: (4-ethylsulfanyl-6-oxidanylidene-2-phenyl-1H-pyrimidin-5-yl)-triphenyl-phosphanium iodide Openeye Name: (4-ethylsulfanyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)-triphenyl-phosphonium iodide CAS Name: [4-(ethylthio)-6-oxo-2-phenyl-1H-pyrimidin-5-yl]-triphenylphosphonium iodide IUPAC Name: (4-ethylsulfanyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)-triphenylphosphanium iodide Traditional Name: [4-(ethylthio)-6-keto-2-phenyl-1H-pyrimidin-5-yl]-triphenyl-phosphonium iodide Formula: C30H26IN2OPS MolecularWeight: 620.483471

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCSC1=C(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/C30H25N2OPS.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;/h3-22H,2H2,1H3;1H