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

Systemtic Name: ethyl 4-(3-chlorophenyl)sulfanyl-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: ethyl 4-(3-chlorophenyl)sulfanyl-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 4-[(3-chlorophenyl)thio]-1,3-dimethyl-5-pyrazolo[3,4-b]pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-chlorophenyl)sulfanyl-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 4-[(3-chlorophenyl)thio]-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester Formula: C17H16ClN3O2S MolecularWeight: 361.84584

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C(=C1SC3=CC(=CC=C3)Cl)C(=NN2C)C

Isomeric SMILES

CCOC(=O)C1=CN=C2C(=C1SC3=CC(=CC=C3)Cl)C(=NN2C)C

InChI

InChI=1S/C17H16ClN3O2S/c1-4-23-17(22)13-9-19-16-14(10(2)20-21(16)3)15(13)24-12-7-5-6-11(18)8-12/h5-9H,4H2,1-3H3