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

Systemtic Name: 1-(4-tert-butylphenyl)-3-(2-methylsulfanylpropyl)-5-propan-2-yl-pyrazole-4-carboxylic acid Openeye Name: 1-(4-tert-butylphenyl)-5-isopropyl-3-(2-methylsulfanylpropyl)pyrazole-4-carboxylic acid CAS Name: 1-(4-tert-butylphenyl)-3-[2-(methylthio)propyl]-5-propan-2-yl-4-pyrazolecarboxylic acid IUPAC Name: 1-(4-tert-butylphenyl)-3-(2-methylsulfanylpropyl)-5-propan-2-ylpyrazole-4-carboxylic acid Traditional Name: 1-(4-tert-butylphenyl)-5-isopropyl-3-[2-(methylthio)propyl]pyrazole-4-carboxylic acid Formula: C21H30N2O2S MolecularWeight: 374.5401

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=NN1C2=CC=C(C=C2)C(C)(C)C)CC(C)SC)C(=O)O

Isomeric SMILES

CC(C)C1=C(C(=NN1C2=CC=C(C=C2)C(C)(C)C)CC(C)SC)C(=O)O

InChI

InChI=1S/C21H30N2O2S/c1-13(2)19-18(20(24)25)17(12-14(3)26-7)22-23(19)16-10-8-15(9-11-16)21(4,5)6/h8-11,13-14H,12H2,1-7H3,(H,24,25)