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

Systemtic Name: 1-(4-tert-butylphenyl)-3-(2-methylsulfanylethyl)-5-phenyl-pyrazole-4-carboxylic acid Openeye Name: 1-(4-tert-butylphenyl)-3-(2-methylsulfanylethyl)-5-phenyl-pyrazole-4-carboxylic acid CAS Name: 1-(4-tert-butylphenyl)-3-[2-(methylthio)ethyl]-5-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(4-tert-butylphenyl)-3-(2-methylsulfanylethyl)-5-phenylpyrazole-4-carboxylic acid Traditional Name: 1-(4-tert-butylphenyl)-3-[2-(methylthio)ethyl]-5-phenyl-pyrazole-4-carboxylic acid Formula: C23H26N2O2S MolecularWeight: 394.52974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O2S/c1-23(2,3)17-10-12-18(13-11-17)25-21(16-8-6-5-7-9-16)20(22(26)27)19(24-25)14-15-28-4/h5-13H,14-15H2,1-4H3,(H,26,27)