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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=NN1C2=CC(=C(C=C2)F)Cl)CC(C)SC)C(=O)O

Isomeric SMILES

CCCC1=C(C(=NN1C2=CC(=C(C=C2)F)Cl)CC(C)SC)C(=O)O

InChI

InChI=1S/C17H20ClFN2O2S/c1-4-5-15-16(17(22)23)14(8-10(2)24-3)20-21(15)11-6-7-13(19)12(18)9-11/h6-7,9-10H,4-5,8H2,1-3H3,(H,22,23)