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

Systemtic Name: dimethyl 4-azanyl-3-(3-methylphenyl)sulfanyl-1-phenyl-pyrazolo[3,4-b]pyridine-5,6-dicarboxylate Openeye Name: dimethyl 4-amino-3-(m-tolylsulfanyl)-1-phenyl-pyrazolo[3,4-b]pyridine-5,6-dicarboxylate CAS Name: 4-amino-3-[(3-methylphenyl)thio]-1-phenylpyrazolo[3,4-b]pyridine-5,6-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-amino-3-(3-methylphenyl)sulfanyl-1-phenylpyrazolo[3,4-b]pyridine-5,6-dicarboxylate Traditional Name: 4-amino-3-(m-tolylthio)-1-phenyl-pyrazolo[3,4-b]pyridine-5,6-dicarboxylic acid dimethyl ester Formula: C23H20N4O4S MolecularWeight: 448.4943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)SC2=NN(C3=NC(=C(C(=C32)N)C(=O)OC)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)SC2=NN(C3=NC(=C(C(=C32)N)C(=O)OC)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C23H20N4O4S/c1-13-8-7-11-15(12-13)32-21-17-18(24)16(22(28)30-2)19(23(29)31-3)25-20(17)27(26-21)14-9-5-4-6-10-14/h4-12H,1-3H3,(H2,24,25)