1,3-dimethyl-4-(4-methylphenyl)sulfanyl-pyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: 1,3-dimethyl-4-(4-methylphenyl)sulfanyl-pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: 1,3-dimethyl-4-(p-tolylsulfanyl)pyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 1,3-dimethyl-4-[(4-methylphenyl)thio]-5-pyrazolo[3,4-b]pyridinecarboxylate IUPAC Name: 1,3-dimethyl-4-(4-methylphenyl)sulfanylpyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 1,3-dimethyl-4-(p-tolylthio)pyrazolo[3,4-b]pyridine-5-carboxylate Formula: C16H14N3O2S- MolecularWeight: 312.36626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C3C(=NN(C3=NC=C2C(=O)[O-])C)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C3C(=NN(C3=NC=C2C(=O)[O-])C)C

InChI

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