4-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxylic acid

Systemtic Name: 4-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxylic acid Openeye Name: 4-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxylic acid CAS Name: 4-[(1,3,5-trimethyl-4-pyrazolyl)methyl]-2-thiophenecarboxylic acid IUPAC Name: 4-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxylic acid Traditional Name: 4-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2-thenoic acid Formula: C12H14N2O2S MolecularWeight: 250.31676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CC2=CSC(=C2)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1C)C)CC2=CSC(=C2)C(=O)O

InChI

InChI=1S/C12H14N2O2S/c1-7-10(8(2)14(3)13-7)4-9-5-11(12(15)16)17-6-9/h5-6H,4H2,1-3H3,(H,15,16)