2-[1-(4-bromanyl-3-methyl-phenyl)imidazol-2-yl]sulfanylethanoate

Systemtic Name: 2-[1-(4-bromanyl-3-methyl-phenyl)imidazol-2-yl]sulfanylethanoate Openeye Name: 2-[1-(4-bromo-3-methyl-phenyl)imidazol-2-yl]sulfanylacetate CAS Name: 2-[[1-(4-bromo-3-methylphenyl)-2-imidazolyl]thio]acetate IUPAC Name: 2-[1-(4-bromo-3-methylphenyl)imidazol-2-yl]sulfanylacetate Traditional Name: 2-[[1-(4-bromo-3-methyl-phenyl)imidazol-2-yl]thio]acetate Formula: C12H10BrN2O2S- MolecularWeight: 326.189

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11BrN2O2S/c1-8-6-9(2-3-10(8)13)15-5-4-14-12(15)18-7-11(16)17/h2-6H,7H2,1H3,(H,16,17)/p-1