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

Systemtic Name: 1-(4-tert-butylphenyl)-3-(2-methylsulfanylpropyl)-5-phenyl-pyrazole-4-carboxylic acid Openeye Name: 1-(4-tert-butylphenyl)-3-(2-methylsulfanylpropyl)-5-phenyl-pyrazole-4-carboxylic acid CAS Name: 1-(4-tert-butylphenyl)-3-[2-(methylthio)propyl]-5-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(4-tert-butylphenyl)-3-(2-methylsulfanylpropyl)-5-phenylpyrazole-4-carboxylic acid Traditional Name: 1-(4-tert-butylphenyl)-3-[2-(methylthio)propyl]-5-phenyl-pyrazole-4-carboxylic acid Formula: C24H28N2O2S MolecularWeight: 408.55632

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=NN(C(=C1C(=O)O)C2=CC=CC=C2)C3=CC=C(C=C3)C(C)(C)C)SC

Isomeric SMILES

CC(CC1=NN(C(=C1C(=O)O)C2=CC=CC=C2)C3=CC=C(C=C3)C(C)(C)C)SC

InChI

InChI=1S/C24H28N2O2S/c1-16(29-5)15-20-21(23(27)28)22(17-9-7-6-8-10-17)26(25-20)19-13-11-18(12-14-19)24(2,3)4/h6-14,16H,15H2,1-5H3,(H,27,28)