(5E)-5-[(4-methoxyphenyl)methylidene]-2-phenacylsulfanyl-3-phenyl-imidazol-4-one bromide

Systemtic Name: (5E)-5-[(4-methoxyphenyl)methylidene]-2-phenacylsulfanyl-3-phenyl-imidazol-4-one bromide Openeye Name: (5E)-5-[(4-methoxyphenyl)methylene]-2-phenacylsulfanyl-3-phenyl-imidazol-4-one bromide CAS Name: (5E)-5-[(4-methoxyphenyl)methylidene]-2-(phenacylthio)-3-phenyl-4-imidazolone bromide IUPAC Name: (5E)-5-[(4-methoxyphenyl)methylidene]-2-phenacylsulfanyl-3-phenylimidazol-4-one bromide Traditional Name: (5E)-5-p-anisylidene-2-(phenacylthio)-3-phenyl-2-imidazolin-4-one bromide Formula: C25H20BrN2O3S- MolecularWeight: 508.4069

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=C2C(=O)N(C(=N2)SCC(=O)C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/2\C(=O)N(C(=N2)SCC(=O)C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C25H20N2O3S.BrH/c1-30-21-14-12-18(13-15-21)16-22-24(29)27(20-10-6-3-7-11-20)25(26-22)31-17-23(28)19-8-4-2-5-9-19;/h2-16H,17H2,1H3;1H/p-1/b22-16+;