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

Systemtic Name: 2-[1-(2-methylphenyl)-4-(4-nitrophenyl)imidazol-2-yl]sulfanyl-1-phenyl-ethanone hydrobromide Openeye Name: 2-[4-(4-nitrophenyl)-1-(o-tolyl)imidazol-2-yl]sulfanyl-1-phenyl-ethanone hydrobromide CAS Name: 2-[[1-(2-methylphenyl)-4-(4-nitrophenyl)-2-imidazolyl]thio]-1-phenylethanone hydrobromide IUPAC Name: 2-[1-(2-methylphenyl)-4-(4-nitrophenyl)imidazol-2-yl]sulfanyl-1-phenylethanone hydrobromide Traditional Name: 2-[[4-(4-nitrophenyl)-1-(o-tolyl)imidazol-2-yl]thio]-1-phenyl-ethanone hydrobromide Formula: C24H20BrN3O3S MolecularWeight: 510.4029

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=C(N=C2SCC(=O)C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-].Br

Isomeric SMILES

CC1=CC=CC=C1N2C=C(N=C2SCC(=O)C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-].Br

InChI

InChI=1S/C24H19N3O3S.BrH/c1-17-7-5-6-10-22(17)26-15-21(18-11-13-20(14-12-18)27(29)30)25-24(26)31-16-23(28)19-8-3-2-4-9-19;/h2-15H,16H2,1H3;1H