1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-(2-methylphenyl)-4-phenyl-imidazol-2-yl]sulfanyl-ethanone bromide

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-(2-methylphenyl)-4-phenyl-imidazol-2-yl]sulfanyl-ethanone bromide Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-(o-tolyl)-4-phenyl-imidazol-2-yl]sulfanyl-ethanone bromide CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[1-(2-methylphenyl)-4-phenyl-2-imidazolyl]thio]ethanone bromide IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-(2-methylphenyl)-4-phenylimidazol-2-yl]sulfanylethanone bromide Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[1-(o-tolyl)-4-phenyl-imidazol-2-yl]thio]ethanone bromide Formula: C26H22BrN2O3S- MolecularWeight: 522.43348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=C(N=C2SCC(=O)C3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5.[Br-]

Isomeric SMILES

CC1=CC=CC=C1N2C=C(N=C2SCC(=O)C3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C26H22N2O3S.BrH/c1-18-7-5-6-10-22(18)28-16-21(19-8-3-2-4-9-19)27-26(28)32-17-23(29)20-11-12-24-25(15-20)31-14-13-30-24;/h2-12,15-16H,13-14,17H2,1H3;1H/p-1