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

Systemtic Name: 1-(3-chlorophenyl)-3-(2-methylsulfanylpropyl)-5-propan-2-yl-pyrazole-4-carboxylic acid Openeye Name: 1-(3-chlorophenyl)-5-isopropyl-3-(2-methylsulfanylpropyl)pyrazole-4-carboxylic acid CAS Name: 1-(3-chlorophenyl)-3-[2-(methylthio)propyl]-5-propan-2-yl-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-chlorophenyl)-3-(2-methylsulfanylpropyl)-5-propan-2-ylpyrazole-4-carboxylic acid Traditional Name: 1-(3-chlorophenyl)-5-isopropyl-3-[2-(methylthio)propyl]pyrazole-4-carboxylic acid Formula: C17H21ClN2O2S MolecularWeight: 352.87884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21ClN2O2S/c1-10(2)16-15(17(21)22)14(8-11(3)23-4)19-20(16)13-7-5-6-12(18)9-13/h5-7,9-11H,8H2,1-4H3,(H,21,22)