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

Systemtic Name: 1-(3-chlorophenyl)-3-(2-methylsulfanylpropyl)-5-phenyl-pyrazole-4-carboxylic acid Openeye Name: 1-(3-chlorophenyl)-3-(2-methylsulfanylpropyl)-5-phenyl-pyrazole-4-carboxylic acid CAS Name: 1-(3-chlorophenyl)-3-[2-(methylthio)propyl]-5-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-chlorophenyl)-3-(2-methylsulfanylpropyl)-5-phenylpyrazole-4-carboxylic acid Traditional Name: 1-(3-chlorophenyl)-3-[2-(methylthio)propyl]-5-phenyl-pyrazole-4-carboxylic acid Formula: C20H19ClN2O2S MolecularWeight: 386.89506

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=NN(C(=C1C(=O)O)C2=CC=CC=C2)C3=CC(=CC=C3)Cl)SC

Isomeric SMILES

CC(CC1=NN(C(=C1C(=O)O)C2=CC=CC=C2)C3=CC(=CC=C3)Cl)SC

InChI

InChI=1S/C20H19ClN2O2S/c1-13(26-2)11-17-18(20(24)25)19(14-7-4-3-5-8-14)23(22-17)16-10-6-9-15(21)12-16/h3-10,12-13H,11H2,1-2H3,(H,24,25)