1-(3-chloranyl-4-fluoranyl-phenyl)-3-(2-methylsulfanylpropyl)-5-propan-2-yl-pyrazole-4-carboxylic acid

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-(2-methylsulfanylpropyl)-5-propan-2-yl-pyrazole-4-carboxylic acid Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-5-isopropyl-3-(2-methylsulfanylpropyl)pyrazole-4-carboxylic acid CAS Name: 1-(3-chloro-4-fluorophenyl)-3-[2-(methylthio)propyl]-5-propan-2-yl-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-(2-methylsulfanylpropyl)-5-propan-2-ylpyrazole-4-carboxylic acid Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-5-isopropyl-3-[2-(methylthio)propyl]pyrazole-4-carboxylic acid Formula: C17H20ClFN2O2S MolecularWeight: 370.869303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClFN2O2S/c1-9(2)16-15(17(22)23)14(7-10(3)24-4)20-21(16)11-5-6-13(19)12(18)8-11/h5-6,8-10H,7H2,1-4H3,(H,22,23)