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

Systemtic Name: 1-(3-chlorophenyl)-5-ethyl-3-(2-methylsulfanylpropyl)pyrazole-4-carboxylic acid Openeye Name: 1-(3-chlorophenyl)-5-ethyl-3-(2-methylsulfanylpropyl)pyrazole-4-carboxylic acid CAS Name: 1-(3-chlorophenyl)-5-ethyl-3-[2-(methylthio)propyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-chlorophenyl)-5-ethyl-3-(2-methylsulfanylpropyl)pyrazole-4-carboxylic acid Traditional Name: 1-(3-chlorophenyl)-5-ethyl-3-[2-(methylthio)propyl]pyrazole-4-carboxylic acid Formula: C16H19ClN2O2S MolecularWeight: 338.85226

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1C2=CC(=CC=C2)Cl)CC(C)SC)C(=O)O

Isomeric SMILES

CCC1=C(C(=NN1C2=CC(=CC=C2)Cl)CC(C)SC)C(=O)O

InChI

InChI=1S/C16H19ClN2O2S/c1-4-14-15(16(20)21)13(8-10(2)22-3)18-19(14)12-7-5-6-11(17)9-12/h5-7,9-10H,4,8H2,1-3H3,(H,20,21)