5-ethyl-1-(2-fluorophenyl)-3-(2-methylsulfanylpropyl)pyrazole-4-carboxylic acid

Systemtic Name: 5-ethyl-1-(2-fluorophenyl)-3-(2-methylsulfanylpropyl)pyrazole-4-carboxylic acid Openeye Name: 5-ethyl-1-(2-fluorophenyl)-3-(2-methylsulfanylpropyl)pyrazole-4-carboxylic acid CAS Name: 5-ethyl-1-(2-fluorophenyl)-3-[2-(methylthio)propyl]-4-pyrazolecarboxylic acid IUPAC Name: 5-ethyl-1-(2-fluorophenyl)-3-(2-methylsulfanylpropyl)pyrazole-4-carboxylic acid Traditional Name: 5-ethyl-1-(2-fluorophenyl)-3-[2-(methylthio)propyl]pyrazole-4-carboxylic acid Formula: C16H19FN2O2S MolecularWeight: 322.397663

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1C2=CC=CC=C2F)CC(C)SC)C(=O)O

Isomeric SMILES

CCC1=C(C(=NN1C2=CC=CC=C2F)CC(C)SC)C(=O)O

InChI

InChI=1S/C16H19FN2O2S/c1-4-13-15(16(20)21)12(9-10(2)22-3)18-19(13)14-8-6-5-7-11(14)17/h5-8,10H,4,9H2,1-3H3,(H,20,21)