(5E)-5-[(4-methoxyphenyl)methylidene]-2-phenacylsulfanyl-3-prop-2-enyl-imidazol-4-one hydrobromide

Systemtic Name: (5E)-5-[(4-methoxyphenyl)methylidene]-2-phenacylsulfanyl-3-prop-2-enyl-imidazol-4-one hydrobromide Openeye Name: (5E)-3-allyl-5-[(4-methoxyphenyl)methylene]-2-phenacylsulfanyl-imidazol-4-one hydrobromide CAS Name: (5E)-5-[(4-methoxyphenyl)methylidene]-2-(phenacylthio)-3-prop-2-enyl-4-imidazolone hydrobromide IUPAC Name: (5E)-5-[(4-methoxyphenyl)methylidene]-2-phenacylsulfanyl-3-prop-2-enylimidazol-4-one hydrobromide Traditional Name: (5E)-3-allyl-5-p-anisylidene-2-(phenacylthio)-2-imidazolin-4-one hydrobromide Formula: C22H21BrN2O3S MolecularWeight: 473.38274

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=C2C(=O)N(C(=N2)SCC(=O)C3=CC=CC=C3)CC=C.Br

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O3S.BrH/c1-3-13-24-21(26)19(14-16-9-11-18(27-2)12-10-16)23-22(24)28-15-20(25)17-7-5-4-6-8-17;/h3-12,14H,1,13,15H2,2H3;1H/b19-14+;