1-[2-[(4-bromophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-(3,4-dimethoxyphenyl)ethanone

Systemtic Name: 1-[2-[(4-bromophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-(3,4-dimethoxyphenyl)ethanone Openeye Name: 1-[2-[(4-bromophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-(3,4-dimethoxyphenyl)ethanone CAS Name: 1-[2-[(4-bromophenyl)methylthio]-4,5-dihydroimidazol-1-yl]-2-(3,4-dimethoxyphenyl)ethanone IUPAC Name: 1-[2-[(4-bromophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-(3,4-dimethoxyphenyl)ethanone Traditional Name: 1-[2-[(4-bromobenzyl)thio]-2-imidazolin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone Formula: C20H21BrN2O3S MolecularWeight: 449.36134

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)N2CCN=C2SCC3=CC=C(C=C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)N2CCN=C2SCC3=CC=C(C=C3)Br)OC

InChI

InChI=1S/C20H21BrN2O3S/c1-25-17-8-5-15(11-18(17)26-2)12-19(24)23-10-9-22-20(23)27-13-14-3-6-16(21)7-4-14/h3-8,11H,9-10,12-13H2,1-2H3