1-(4-methylphenyl)-2-[1-(2-methylphenyl)-4-(4-nitrophenyl)imidazol-2-yl]sulfanyl-ethanone hydrobromide

Systemtic Name: 1-(4-methylphenyl)-2-[1-(2-methylphenyl)-4-(4-nitrophenyl)imidazol-2-yl]sulfanyl-ethanone hydrobromide Openeye Name: 2-[4-(4-nitrophenyl)-1-(o-tolyl)imidazol-2-yl]sulfanyl-1-(p-tolyl)ethanone hydrobromide CAS Name: 1-(4-methylphenyl)-2-[[1-(2-methylphenyl)-4-(4-nitrophenyl)-2-imidazolyl]thio]ethanone hydrobromide IUPAC Name: 1-(4-methylphenyl)-2-[1-(2-methylphenyl)-4-(4-nitrophenyl)imidazol-2-yl]sulfanylethanone hydrobromide Traditional Name: 2-[[4-(4-nitrophenyl)-1-(o-tolyl)imidazol-2-yl]thio]-1-(p-tolyl)ethanone hydrobromide Formula: C25H22BrN3O3S MolecularWeight: 524.42948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CSC2=NC(=CN2C3=CC=CC=C3C)C4=CC=C(C=C4)[N+](=O)[O-].Br

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CSC2=NC(=CN2C3=CC=CC=C3C)C4=CC=C(C=C4)[N+](=O)[O-].Br

InChI

InChI=1S/C25H21N3O3S.BrH/c1-17-7-9-20(10-8-17)24(29)16-32-25-26-22(19-11-13-21(14-12-19)28(30)31)15-27(25)23-6-4-3-5-18(23)2;/h3-15H,16H2,1-2H3;1H