(5E)-2-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-5-(phenylmethylidene)-3-prop-2-enyl-imidazol-4-one hydrobromide

Systemtic Name: (5E)-2-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-5-(phenylmethylidene)-3-prop-2-enyl-imidazol-4-one hydrobromide Openeye Name: (5E)-3-allyl-5-benzylidene-2-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-imidazol-4-one hydrobromide CAS Name: (5E)-2-[[2-(4-methoxyphenyl)-2-oxoethyl]thio]-5-(phenylmethylene)-3-prop-2-enyl-4-imidazolone hydrobromide IUPAC Name: (5E)-5-benzylidene-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-3-prop-2-enylimidazol-4-one hydrobromide Traditional Name: (5E)-3-allyl-5-benzal-2-[[2-keto-2-(4-methoxyphenyl)ethyl]thio]-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(=O)CSC2=NC(=CC3=CC=CC=C3)C(=O)N2CC=C.Br

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CSC2=N/C(=C/C3=CC=CC=C3)/C(=O)N2CC=C.Br

InChI

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