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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=NN1C2=CC=C(C=C2)C#N)CC(C)SC)C(=O)O

Isomeric SMILES

CCCC1=C(C(=NN1C2=CC=C(C=C2)C#N)CC(C)SC)C(=O)O

InChI

InChI=1S/C18H21N3O2S/c1-4-5-16-17(18(22)23)15(10-12(2)24-3)20-21(16)14-8-6-13(11-19)7-9-14/h6-9,12H,4-5,10H2,1-3H3,(H,22,23)