1-(3-chlorophenyl)-3-(2-methylsulfanylethyl)-5-propan-2-yl-pyrazole-4-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=NN1C2=CC(=CC=C2)Cl)CCSC)C(=O)O

Isomeric SMILES

CC(C)C1=C(C(=NN1C2=CC(=CC=C2)Cl)CCSC)C(=O)O

InChI

InChI=1S/C16H19ClN2O2S/c1-10(2)15-14(16(20)21)13(7-8-22-3)18-19(15)12-6-4-5-11(17)9-12/h4-6,9-10H,7-8H2,1-3H3,(H,20,21)