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

Systemtic Name: 4-chloranyl-2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]benzoic acid Openeye Name: 4-chloro-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzoic acid CAS Name: 4-chloro-2-[[(1-methyl-5-tetrazolyl)thio]methyl]benzoic acid IUPAC Name: 4-chloro-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzoic acid Traditional Name: 4-chloro-2-[[(1-methyltetrazol-5-yl)thio]methyl]benzoic acid Formula: C10H9ClN4O2S MolecularWeight: 284.72206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H9ClN4O2S/c1-15-10(12-13-14-15)18-5-6-4-7(11)2-3-8(6)9(16)17/h2-4H,5H2,1H3,(H,16,17)