(2-chloranyl-4-cyano-phenyl) 6-(2,5-dimethylthiophen-3-yl)-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: (2-chloranyl-4-cyano-phenyl) 6-(2,5-dimethylthiophen-3-yl)-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: (2-chloro-4-cyano-phenyl) 6-(2,5-dimethyl-3-thienyl)-1-isopropyl-pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 6-(2,5-dimethyl-3-thiophenyl)-1-propan-2-yl-4-pyrazolo[3,4-b]pyridinecarboxylic acid (2-chloro-4-cyanophenyl) ester IUPAC Name: (2-chloro-4-cyanophenyl) 6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 6-(2,5-dimethyl-3-thienyl)-1-isopropyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid (2-chloro-4-cyano-phenyl) ester Formula: C23H19ClN4O2S MolecularWeight: 450.94056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C2=NC3=C(C=NN3C(C)C)C(=C2)C(=O)OC4=C(C=C(C=C4)C#N)Cl

Isomeric SMILES

CC1=CC(=C(S1)C)C2=NC3=C(C=NN3C(C)C)C(=C2)C(=O)OC4=C(C=C(C=C4)C#N)Cl

InChI

InChI=1S/C23H19ClN4O2S/c1-12(2)28-22-18(11-26-28)17(9-20(27-22)16-7-13(3)31-14(16)4)23(29)30-21-6-5-15(10-25)8-19(21)24/h5-9,11-12H,1-4H3