5-[(3,5-dimethylpyrazol-1-yl)methyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[(3,5-dimethylpyrazol-1-yl)methyl]thiophene-2-carboxylic acid Openeye Name: 5-[(3,5-dimethylpyrazol-1-yl)methyl]thiophene-2-carboxylic acid CAS Name: 5-[(3,5-dimethyl-1-pyrazolyl)methyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[(3,5-dimethylpyrazol-1-yl)methyl]thiophene-2-carboxylic acid Traditional Name: 5-[(3,5-dimethylpyrazol-1-yl)methyl]-2-thenoic acid Formula: C11H12N2O2S MolecularWeight: 236.29018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=CC=C(S2)C(=O)O)C

Isomeric SMILES

CC1=CC(=NN1CC2=CC=C(S2)C(=O)O)C

InChI

InChI=1S/C11H12N2O2S/c1-7-5-8(2)13(12-7)6-9-3-4-10(16-9)11(14)15/h3-5H,6H2,1-2H3,(H,14,15)