dimethyl 4-azanyl-3-(4-chlorophenyl)sulfanyl-1-phenyl-pyrazolo[3,4-b]pyridine-5,6-dicarboxylate

Systemtic Name: dimethyl 4-azanyl-3-(4-chlorophenyl)sulfanyl-1-phenyl-pyrazolo[3,4-b]pyridine-5,6-dicarboxylate Openeye Name: dimethyl 4-amino-3-(4-chlorophenyl)sulfanyl-1-phenyl-pyrazolo[3,4-b]pyridine-5,6-dicarboxylate CAS Name: 4-amino-3-[(4-chlorophenyl)thio]-1-phenylpyrazolo[3,4-b]pyridine-5,6-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-amino-3-(4-chlorophenyl)sulfanyl-1-phenylpyrazolo[3,4-b]pyridine-5,6-dicarboxylate Traditional Name: 4-amino-3-[(4-chlorophenyl)thio]-1-phenyl-pyrazolo[3,4-b]pyridine-5,6-dicarboxylic acid dimethyl ester Formula: C22H17ClN4O4S MolecularWeight: 468.91278

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N=C2C(=C1N)C(=NN2C3=CC=CC=C3)SC4=CC=C(C=C4)Cl)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(N=C2C(=C1N)C(=NN2C3=CC=CC=C3)SC4=CC=C(C=C4)Cl)C(=O)OC

InChI

InChI=1S/C22H17ClN4O4S/c1-30-21(28)15-17(24)16-19(25-18(15)22(29)31-2)27(13-6-4-3-5-7-13)26-20(16)32-14-10-8-12(23)9-11-14/h3-11H,1-2H3,(H2,24,25)