4-fluoranyl-3-(pyrazol-1-ylmethyl)-1-benzothiophene-2-carboxylic acid

Systemtic Name: 4-fluoranyl-3-(pyrazol-1-ylmethyl)-1-benzothiophene-2-carboxylic acid Openeye Name: 4-fluoro-3-(pyrazol-1-ylmethyl)benzothiophene-2-carboxylic acid CAS Name: 4-fluoro-3-(1-pyrazolylmethyl)-1-benzothiophene-2-carboxylic acid IUPAC Name: 4-fluoro-3-(pyrazol-1-ylmethyl)-1-benzothiophene-2-carboxylic acid Traditional Name: 4-fluoro-3-(pyrazol-1-ylmethyl)benzothiophene-2-carboxylic acid Formula: C13H9FN2O2S MolecularWeight: 276.286163

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1)SC(=C2CN3C=CC=N3)C(=O)O)F

Isomeric SMILES

C1=CC(=C2C(=C1)SC(=C2CN3C=CC=N3)C(=O)O)F

InChI

InChI=1S/C13H9FN2O2S/c14-9-3-1-4-10-11(9)8(12(19-10)13(17)18)7-16-6-2-5-15-16/h1-6H,7H2,(H,17,18)