1-(4-tert-butylphenyl)-5-ethyl-3-(2-methylsulfanylethyl)pyrazole-4-carboxylic acid

Systemtic Name: 1-(4-tert-butylphenyl)-5-ethyl-3-(2-methylsulfanylethyl)pyrazole-4-carboxylic acid Openeye Name: 1-(4-tert-butylphenyl)-5-ethyl-3-(2-methylsulfanylethyl)pyrazole-4-carboxylic acid CAS Name: 1-(4-tert-butylphenyl)-5-ethyl-3-[2-(methylthio)ethyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-(4-tert-butylphenyl)-5-ethyl-3-(2-methylsulfanylethyl)pyrazole-4-carboxylic acid Traditional Name: 1-(4-tert-butylphenyl)-5-ethyl-3-[2-(methylthio)ethyl]pyrazole-4-carboxylic acid Formula: C19H26N2O2S MolecularWeight: 346.48694

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1C2=CC=C(C=C2)C(C)(C)C)CCSC)C(=O)O

Isomeric SMILES

CCC1=C(C(=NN1C2=CC=C(C=C2)C(C)(C)C)CCSC)C(=O)O

InChI

InChI=1S/C19H26N2O2S/c1-6-16-17(18(22)23)15(11-12-24-5)20-21(16)14-9-7-13(8-10-14)19(2,3)4/h7-10H,6,11-12H2,1-5H3,(H,22,23)