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

Systemtic Name: 3-(pyrazol-1-ylmethyl)-1-benzothiophene-2-carboxylic acid Openeye Name: 3-(pyrazol-1-ylmethyl)benzothiophene-2-carboxylic acid CAS Name: 3-(1-pyrazolylmethyl)-1-benzothiophene-2-carboxylic acid IUPAC Name: 3-(pyrazol-1-ylmethyl)-1-benzothiophene-2-carboxylic acid Traditional Name: 3-(pyrazol-1-ylmethyl)benzothiophene-2-carboxylic acid Formula: C13H10N2O2S MolecularWeight: 258.2957

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)O)CN3C=CC=N3

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)O)CN3C=CC=N3

InChI

InChI=1S/C13H10N2O2S/c16-13(17)12-10(8-15-7-3-6-14-15)9-4-1-2-5-11(9)18-12/h1-7H,8H2,(H,16,17)