2-(4-bromanylphenoxy)ethyl 3-methyl-1-phenyl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: 2-(4-bromanylphenoxy)ethyl 3-methyl-1-phenyl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: 2-(4-bromophenoxy)ethyl 3-methyl-1-phenyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 3-methyl-1-phenyl-6-thiophen-2-yl-4-pyrazolo[3,4-b]pyridinecarboxylic acid 2-(4-bromophenoxy)ethyl ester IUPAC Name: 2-(4-bromophenoxy)ethyl 3-methyl-1-phenyl-6-thiophen-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 3-methyl-1-phenyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid 2-(4-bromophenoxy)ethyl ester Formula: C26H20BrN3O3S MolecularWeight: 534.4243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CS3)C(=O)OCCOC4=CC=C(C=C4)Br)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CS3)C(=O)OCCOC4=CC=C(C=C4)Br)C5=CC=CC=C5

InChI

InChI=1S/C26H20BrN3O3S/c1-17-24-21(26(31)33-14-13-32-20-11-9-18(27)10-12-20)16-22(23-8-5-15-34-23)28-25(24)30(29-17)19-6-3-2-4-7-19/h2-12,15-16H,13-14H2,1H3