4-[(4-bromophenyl)sulfanylmethyl]-1,3-thiazole-2-carboxylic acid

Systemtic Name: 4-[(4-bromophenyl)sulfanylmethyl]-1,3-thiazole-2-carboxylic acid Openeye Name: 4-[(4-bromophenyl)sulfanylmethyl]thiazole-2-carboxylic acid CAS Name: 4-[[(4-bromophenyl)thio]methyl]-2-thiazolecarboxylic acid IUPAC Name: 4-[(4-bromophenyl)sulfanylmethyl]-1,3-thiazole-2-carboxylic acid Traditional Name: 4-[[(4-bromophenyl)thio]methyl]thiazole-2-carboxylic acid Formula: C11H8BrNO2S2 MolecularWeight: 330.22072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCC2=CSC(=N2)C(=O)O)Br

Isomeric SMILES

C1=CC(=CC=C1SCC2=CSC(=N2)C(=O)O)Br

InChI

InChI=1S/C11H8BrNO2S2/c12-7-1-3-9(4-2-7)16-5-8-6-17-10(13-8)11(14)15/h1-4,6H,5H2,(H,14,15)