[(E)-1-acetamido-2-chloranyl-2-methylsulfanyl-ethenyl]-triphenyl-phosphanium iodide

Systemtic Name: [(E)-1-acetamido-2-chloranyl-2-methylsulfanyl-ethenyl]-triphenyl-phosphanium iodide Openeye Name: [(E)-1-acetamido-2-chloro-2-methylsulfanyl-vinyl]-triphenyl-phosphonium iodide CAS Name: [(E)-1-acetamido-2-chloro-2-(methylthio)ethenyl]-triphenylphosphonium iodide IUPAC Name: [(E)-1-acetamido-2-chloro-2-methylsulfanylethenyl]-triphenylphosphanium iodide Traditional Name: [(E)-1-acetamido-2-chloro-2-(methylthio)vinyl]-triphenyl-phosphonium iodide Formula: C23H22ClINOPS MolecularWeight: 553.823111

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=C(SC)Cl)[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[I-]

Isomeric SMILES

CC(=O)N/C(=C(/SC)\Cl)/[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[I-]

InChI

InChI=1S/C23H21ClNOPS.HI/c1-18(26)25-23(22(24)28-2)27(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h3-17H,1-2H3;1H/b23-22-;