2-[1-(3-bromophenyl)imidazol-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[1-(3-bromophenyl)imidazol-2-yl]sulfanylethanoic acid Openeye Name: 2-[1-(3-bromophenyl)imidazol-2-yl]sulfanylacetic acid CAS Name: 2-[[1-(3-bromophenyl)-2-imidazolyl]thio]acetic acid IUPAC Name: 2-[1-(3-bromophenyl)imidazol-2-yl]sulfanylacetic acid Traditional Name: 2-[[1-(3-bromophenyl)imidazol-2-yl]thio]acetic acid Formula: C11H9BrN2O2S MolecularWeight: 313.17036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)N2C=CN=C2SCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Br)N2C=CN=C2SCC(=O)O

InChI

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