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

Systemtic Name: 3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-fluoranyl-1-benzothiophene-2-carboxylic acid Openeye Name: 3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-fluoro-benzothiophene-2-carboxylic acid CAS Name: 3-[(3,5-dimethyl-1-pyrazolyl)methyl]-4-fluoro-1-benzothiophene-2-carboxylic acid IUPAC Name: 3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-fluoro-1-benzothiophene-2-carboxylic acid Traditional Name: 3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-fluoro-benzothiophene-2-carboxylic acid Formula: C15H13FN2O2S MolecularWeight: 304.339323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=C(SC3=CC=CC(=C32)F)C(=O)O)C

Isomeric SMILES

CC1=CC(=NN1CC2=C(SC3=CC=CC(=C32)F)C(=O)O)C

InChI

InChI=1S/C15H13FN2O2S/c1-8-6-9(2)18(17-8)7-10-13-11(16)4-3-5-12(13)21-14(10)15(19)20/h3-6H,7H2,1-2H3,(H,19,20)