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

Systemtic Name: 1-(3-bromanyl-4-methoxy-phenyl)-2-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]ethanone Openeye Name: 1-(3-bromo-4-methoxy-phenyl)-2-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]ethanone CAS Name: 1-(3-bromo-4-methoxyphenyl)-2-[(2-methyl-5-nitro-1H-imidazol-4-yl)thio]ethanone IUPAC Name: 1-(3-bromo-4-methoxyphenyl)-2-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]ethanone Traditional Name: 1-(3-bromo-4-methoxy-phenyl)-2-[(2-methyl-5-nitro-1H-imidazol-4-yl)thio]ethanone Formula: C13H12BrN3O4S MolecularWeight: 386.22108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(N1)[N+](=O)[O-])SCC(=O)C2=CC(=C(C=C2)OC)Br

Isomeric SMILES

CC1=NC(=C(N1)[N+](=O)[O-])SCC(=O)C2=CC(=C(C=C2)OC)Br

InChI

InChI=1S/C13H12BrN3O4S/c1-7-15-12(17(19)20)13(16-7)22-6-10(18)8-3-4-11(21-2)9(14)5-8/h3-5H,6H2,1-2H3,(H,15,16)