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

Systemtic Name: 1-(3-chlorophenyl)-3-(2-methylsulfanylpropyl)-5-propyl-pyrazole-4-carboxylic acid Openeye Name: 1-(3-chlorophenyl)-3-(2-methylsulfanylpropyl)-5-propyl-pyrazole-4-carboxylic acid CAS Name: 1-(3-chlorophenyl)-3-[2-(methylthio)propyl]-5-propyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-chlorophenyl)-3-(2-methylsulfanylpropyl)-5-propylpyrazole-4-carboxylic acid Traditional Name: 1-(3-chlorophenyl)-3-[2-(methylthio)propyl]-5-propyl-pyrazole-4-carboxylic acid Formula: C17H21ClN2O2S MolecularWeight: 352.87884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21ClN2O2S/c1-4-6-15-16(17(21)22)14(9-11(2)23-3)19-20(15)13-8-5-7-12(18)10-13/h5,7-8,10-11H,4,6,9H2,1-3H3,(H,21,22)