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

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-5-methyl-3-(2-methylsulfanylpropyl)pyrazole-4-carboxylic acid Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-5-methyl-3-(2-methylsulfanylpropyl)pyrazole-4-carboxylic acid CAS Name: 1-(3-chloro-4-fluorophenyl)-5-methyl-3-[2-(methylthio)propyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-chloro-4-fluorophenyl)-5-methyl-3-(2-methylsulfanylpropyl)pyrazole-4-carboxylic acid Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-5-methyl-3-[2-(methylthio)propyl]pyrazole-4-carboxylic acid Formula: C15H16ClFN2O2S MolecularWeight: 342.816143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC(=C(C=C2)F)Cl)CC(C)SC)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1C2=CC(=C(C=C2)F)Cl)CC(C)SC)C(=O)O

InChI

InChI=1S/C15H16ClFN2O2S/c1-8(22-3)6-13-14(15(20)21)9(2)19(18-13)10-4-5-12(17)11(16)7-10/h4-5,7-8H,6H2,1-3H3,(H,20,21)