2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylethanoate

Systemtic Name: 2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylethanoate Openeye Name: 2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylacetate CAS Name: 2-[[1-(4-bromophenyl)-2-imidazolyl]thio]acetate IUPAC Name: 2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylacetate Traditional Name: 2-[[1-(4-bromophenyl)imidazol-2-yl]thio]acetate Formula: C11H8BrN2O2S- MolecularWeight: 312.16242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C=CN=C2SCC(=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1N2C=CN=C2SCC(=O)[O-])Br

InChI

InChI=1S/C11H9BrN2O2S/c12-8-1-3-9(4-2-8)14-6-5-13-11(14)17-7-10(15)16/h1-6H,7H2,(H,15,16)/p-1