1-(4-cyanophenyl)-3-(2-methylsulfanylpropyl)-5-propan-2-yl-pyrazole-4-carboxylic acid

Systemtic Name: 1-(4-cyanophenyl)-3-(2-methylsulfanylpropyl)-5-propan-2-yl-pyrazole-4-carboxylic acid Openeye Name: 1-(4-cyanophenyl)-5-isopropyl-3-(2-methylsulfanylpropyl)pyrazole-4-carboxylic acid CAS Name: 1-(4-cyanophenyl)-3-[2-(methylthio)propyl]-5-propan-2-yl-4-pyrazolecarboxylic acid IUPAC Name: 1-(4-cyanophenyl)-3-(2-methylsulfanylpropyl)-5-propan-2-ylpyrazole-4-carboxylic acid Traditional Name: 1-(4-cyanophenyl)-5-isopropyl-3-[2-(methylthio)propyl]pyrazole-4-carboxylic acid Formula: C18H21N3O2S MolecularWeight: 343.44324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=NN1C2=CC=C(C=C2)C#N)CC(C)SC)C(=O)O

Isomeric SMILES

CC(C)C1=C(C(=NN1C2=CC=C(C=C2)C#N)CC(C)SC)C(=O)O

InChI

InChI=1S/C18H21N3O2S/c1-11(2)17-16(18(22)23)15(9-12(3)24-4)20-21(17)14-7-5-13(10-19)6-8-14/h5-8,11-12H,9H2,1-4H3,(H,22,23)