5-(4-ethylsulfanylphenyl)-1-pyridin-4-yl-pyrazole-3-carboxylic acid

Systemtic Name: 5-(4-ethylsulfanylphenyl)-1-pyridin-4-yl-pyrazole-3-carboxylic acid Openeye Name: 5-(4-ethylsulfanylphenyl)-1-(4-pyridyl)pyrazole-3-carboxylic acid CAS Name: 5-[4-(ethylthio)phenyl]-1-pyridin-4-yl-3-pyrazolecarboxylic acid IUPAC Name: 5-(4-ethylsulfanylphenyl)-1-pyridin-4-ylpyrazole-3-carboxylic acid Traditional Name: 5-[4-(ethylthio)phenyl]-1-(4-pyridyl)pyrazole-3-carboxylic acid Formula: C17H15N3O2S MolecularWeight: 325.3849

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=C(C=C1)C2=CC(=NN2C3=CC=NC=C3)C(=O)O

Isomeric SMILES

CCSC1=CC=C(C=C1)C2=CC(=NN2C3=CC=NC=C3)C(=O)O

InChI

InChI=1S/C17H15N3O2S/c1-2-23-14-5-3-12(4-6-14)16-11-15(17(21)22)19-20(16)13-7-9-18-10-8-13/h3-11H,2H2,1H3,(H,21,22)