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

Systemtic Name: 4-fluoranyl-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-1-benzothiophene-2-carboxylic acid Openeye Name: 4-fluoro-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzothiophene-2-carboxylic acid CAS Name: 4-fluoro-3-[[(1-methyl-5-tetrazolyl)thio]methyl]-1-benzothiophene-2-carboxylic acid IUPAC Name: 4-fluoro-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1-benzothiophene-2-carboxylic acid Traditional Name: 4-fluoro-3-[[(1-methyltetrazol-5-yl)thio]methyl]benzothiophene-2-carboxylic acid Formula: C12H9FN4O2S2 MolecularWeight: 324.353863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9FN4O2S2/c1-17-12(14-15-16-17)20-5-6-9-7(13)3-2-4-8(9)21-10(6)11(18)19/h2-4H,5H2,1H3,(H,18,19)