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

Systemtic Name: 3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-1-benzothiophene-2-carboxylic acid Openeye Name: 3-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzothiophene-2-carboxylic acid CAS Name: 3-[[(1-methyl-5-tetrazolyl)thio]methyl]-1-benzothiophene-2-carboxylic acid IUPAC Name: 3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1-benzothiophene-2-carboxylic acid Traditional Name: 3-[[(1-methyltetrazol-5-yl)thio]methyl]benzothiophene-2-carboxylic acid Formula: C12H10N4O2S2 MolecularWeight: 306.3634

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCC2=C(SC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CN1C(=NN=N1)SCC2=C(SC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C12H10N4O2S2/c1-16-12(13-14-15-16)19-6-8-7-4-2-3-5-9(7)20-10(8)11(17)18/h2-5H,6H2,1H3,(H,17,18)