2-bromanyl-4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]benzoic acid

Systemtic Name: 2-bromanyl-4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]benzoic acid Openeye Name: 2-bromo-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzoic acid CAS Name: 2-bromo-4-[[(1-methyl-5-tetrazolyl)thio]methyl]benzoic acid IUPAC Name: 2-bromo-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzoic acid Traditional Name: 2-bromo-4-[[(1-methyltetrazol-5-yl)thio]methyl]benzoic acid Formula: C10H9BrN4O2S MolecularWeight: 329.17306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCC2=CC(=C(C=C2)C(=O)O)Br

Isomeric SMILES

CN1C(=NN=N1)SCC2=CC(=C(C=C2)C(=O)O)Br

InChI

InChI=1S/C10H9BrN4O2S/c1-15-10(12-13-14-15)18-5-6-2-3-7(9(16)17)8(11)4-6/h2-4H,5H2,1H3,(H,16,17)