1-(3-bromanyl-4-methoxy-phenyl)-2-[2-methyl-5-nitro-3-(phenylmethyl)imidazol-4-yl]sulfanyl-ethanone

Systemtic Name: 1-(3-bromanyl-4-methoxy-phenyl)-2-[2-methyl-5-nitro-3-(phenylmethyl)imidazol-4-yl]sulfanyl-ethanone Openeye Name: 2-(3-benzyl-2-methyl-5-nitro-imidazol-4-yl)sulfanyl-1-(3-bromo-4-methoxy-phenyl)ethanone CAS Name: 1-(3-bromo-4-methoxyphenyl)-2-[[2-methyl-5-nitro-3-(phenylmethyl)-4-imidazolyl]thio]ethanone IUPAC Name: 2-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)sulfanyl-1-(3-bromo-4-methoxyphenyl)ethanone Traditional Name: 2-[(3-benzyl-2-methyl-5-nitro-imidazol-4-yl)thio]-1-(3-bromo-4-methoxy-phenyl)ethanone Formula: C20H18BrN3O4S MolecularWeight: 476.34362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(N1CC2=CC=CC=C2)SCC(=O)C3=CC(=C(C=C3)OC)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C(N1CC2=CC=CC=C2)SCC(=O)C3=CC(=C(C=C3)OC)Br)[N+](=O)[O-]

InChI

InChI=1S/C20H18BrN3O4S/c1-13-22-19(24(26)27)20(23(13)11-14-6-4-3-5-7-14)29-12-17(25)15-8-9-18(28-2)16(21)10-15/h3-10H,11-12H2,1-2H3