5-(3-methyl-1-benzothiophen-2-yl)-1H-pyrazole-3-carboxylic acid

Systemtic Name: 5-(3-methyl-1-benzothiophen-2-yl)-1H-pyrazole-3-carboxylic acid Openeye Name: 5-(3-methylbenzothiophen-2-yl)-1H-pyrazole-3-carboxylic acid CAS Name: 5-(3-methyl-1-benzothiophen-2-yl)-1H-pyrazole-3-carboxylic acid IUPAC Name: 5-(3-methyl-1-benzothiophen-2-yl)-1H-pyrazole-3-carboxylic acid Traditional Name: 5-(3-methylbenzothiophen-2-yl)-1H-pyrazole-3-carboxylic acid Formula: C13H10N2O2S MolecularWeight: 258.2957

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C3=CC(=NN3)C(=O)O

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C3=CC(=NN3)C(=O)O

InChI

InChI=1S/C13H10N2O2S/c1-7-8-4-2-3-5-11(8)18-12(7)9-6-10(13(16)17)15-14-9/h2-6H,1H3,(H,14,15)(H,16,17)