5-[3-(1,2,3,4-tetrazol-1-yl)phenyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[3-(1,2,3,4-tetrazol-1-yl)phenyl]thiophene-2-carboxylic acid Openeye Name: 5-[3-(tetrazol-1-yl)phenyl]thiophene-2-carboxylic acid CAS Name: 5-[3-(1-tetrazolyl)phenyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[3-(tetrazol-1-yl)phenyl]thiophene-2-carboxylic acid Traditional Name: 5-[3-(tetrazol-1-yl)phenyl]-2-thenoic acid Formula: C12H8N4O2S MolecularWeight: 272.28252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C=NN=N2)C3=CC=C(S3)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)N2C=NN=N2)C3=CC=C(S3)C(=O)O

InChI

InChI=1S/C12H8N4O2S/c17-12(18)11-5-4-10(19-11)8-2-1-3-9(6-8)16-7-13-14-15-16/h1-7H,(H,17,18)