1-tert-butyl-3-(5-methylthiophen-2-yl)pyrazole-4-carboxylic acid

Systemtic Name: 1-tert-butyl-3-(5-methylthiophen-2-yl)pyrazole-4-carboxylic acid Openeye Name: 1-tert-butyl-3-(5-methyl-2-thienyl)pyrazole-4-carboxylic acid CAS Name: 1-tert-butyl-3-(5-methyl-2-thiophenyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-tert-butyl-3-(5-methylthiophen-2-yl)pyrazole-4-carboxylic acid Traditional Name: 1-tert-butyl-3-(5-methyl-2-thienyl)pyrazole-4-carboxylic acid Formula: C13H16N2O2S MolecularWeight: 264.34334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=NN(C=C2C(=O)O)C(C)(C)C

Isomeric SMILES

CC1=CC=C(S1)C2=NN(C=C2C(=O)O)C(C)(C)C

InChI

InChI=1S/C13H16N2O2S/c1-8-5-6-10(18-8)11-9(12(16)17)7-15(14-11)13(2,3)4/h5-7H,1-4H3,(H,16,17)