(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl 1-propan-2-yl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: (1-phenyl-1,2,3,4-tetrazol-5-yl)methyl 1-propan-2-yl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: (1-phenyltetrazol-5-yl)methyl 1-isopropyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 1-propan-2-yl-6-thiophen-2-yl-4-pyrazolo[3,4-b]pyridinecarboxylic acid (1-phenyl-5-tetrazolyl)methyl ester IUPAC Name: (1-phenyltetrazol-5-yl)methyl 1-propan-2-yl-6-thiophen-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 1-isopropyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid (1-phenyltetrazol-5-yl)methyl ester Formula: C22H19N7O2S MolecularWeight: 445.49696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C=N1)C(=CC(=N2)C3=CC=CS3)C(=O)OCC4=NN=NN4C5=CC=CC=C5

Isomeric SMILES

CC(C)N1C2=C(C=N1)C(=CC(=N2)C3=CC=CS3)C(=O)OCC4=NN=NN4C5=CC=CC=C5

InChI

InChI=1S/C22H19N7O2S/c1-14(2)28-21-17(12-23-28)16(11-18(24-21)19-9-6-10-32-19)22(30)31-13-20-25-26-27-29(20)15-7-4-3-5-8-15/h3-12,14H,13H2,1-2H3