1,3-dimethyl-6-(4-methylsulfanylphenyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid

Systemtic Name: 1,3-dimethyl-6-(4-methylsulfanylphenyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid Openeye Name: 1,3-dimethyl-6-(4-methylsulfanylphenyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid CAS Name: 1,3-dimethyl-6-[4-(methylthio)phenyl]-4-pyrazolo[3,4-b]pyridinecarboxylic acid IUPAC Name: 1,3-dimethyl-6-(4-methylsulfanylphenyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid Traditional Name: 1,3-dimethyl-6-[4-(methylthio)phenyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid Formula: C16H15N3O2S MolecularWeight: 313.3742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=CC(=N2)C3=CC=C(C=C3)SC)C(=O)O)C

Isomeric SMILES

CC1=NN(C2=C1C(=CC(=N2)C3=CC=C(C=C3)SC)C(=O)O)C

InChI

InChI=1S/C16H15N3O2S/c1-9-14-12(16(20)21)8-13(17-15(14)19(2)18-9)10-4-6-11(22-3)7-5-10/h4-8H,1-3H3,(H,20,21)