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

Systemtic Name: 1-(4-cyanophenyl)-3-(2-methylsulfanylpropyl)-5-phenyl-pyrazole-4-carboxylic acid Openeye Name: 1-(4-cyanophenyl)-3-(2-methylsulfanylpropyl)-5-phenyl-pyrazole-4-carboxylic acid CAS Name: 1-(4-cyanophenyl)-3-[2-(methylthio)propyl]-5-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(4-cyanophenyl)-3-(2-methylsulfanylpropyl)-5-phenylpyrazole-4-carboxylic acid Traditional Name: 1-(4-cyanophenyl)-3-[2-(methylthio)propyl]-5-phenyl-pyrazole-4-carboxylic acid Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O2S/c1-14(27-2)12-18-19(21(25)26)20(16-6-4-3-5-7-16)24(23-18)17-10-8-15(13-22)9-11-17/h3-11,14H,12H2,1-2H3,(H,25,26)