2-[1-[2,6-bis(bromanyl)-4-methyl-phenyl]imidazol-2-yl]sulfanylethanoate

Systemtic Name: 2-[1-[2,6-bis(bromanyl)-4-methyl-phenyl]imidazol-2-yl]sulfanylethanoate Openeye Name: 2-[1-(2,6-dibromo-4-methyl-phenyl)imidazol-2-yl]sulfanylacetate CAS Name: 2-[[1-(2,6-dibromo-4-methylphenyl)-2-imidazolyl]thio]acetate IUPAC Name: 2-[1-(2,6-dibromo-4-methylphenyl)imidazol-2-yl]sulfanylacetate Traditional Name: 2-[[1-(2,6-dibromo-4-methyl-phenyl)imidazol-2-yl]thio]acetate Formula: C12H9Br2N2O2S- MolecularWeight: 405.08506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)N2C=CN=C2SCC(=O)[O-])Br

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)N2C=CN=C2SCC(=O)[O-])Br

InChI

InChI=1S/C12H10Br2N2O2S/c1-7-4-8(13)11(9(14)5-7)16-3-2-15-12(16)19-6-10(17)18/h2-5H,6H2,1H3,(H,17,18)/p-1