1-(4-tert-butylphenyl)-5-thiophen-2-yl-pyrazole-3-carboxylic acid

Systemtic Name: 1-(4-tert-butylphenyl)-5-thiophen-2-yl-pyrazole-3-carboxylic acid Openeye Name: 1-(4-tert-butylphenyl)-5-(2-thienyl)pyrazole-3-carboxylic acid CAS Name: 1-(4-tert-butylphenyl)-5-thiophen-2-yl-3-pyrazolecarboxylic acid IUPAC Name: 1-(4-tert-butylphenyl)-5-thiophen-2-ylpyrazole-3-carboxylic acid Traditional Name: 1-(4-tert-butylphenyl)-5-(2-thienyl)pyrazole-3-carboxylic acid Formula: C18H18N2O2S MolecularWeight: 326.41272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N2C(=CC(=N2)C(=O)O)C3=CC=CS3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N2C(=CC(=N2)C(=O)O)C3=CC=CS3

InChI

InChI=1S/C18H18N2O2S/c1-18(2,3)12-6-8-13(9-7-12)20-15(16-5-4-10-23-16)11-14(19-20)17(21)22/h4-11H,1-3H3,(H,21,22)