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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-methyl-1-phenyl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 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 (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 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 (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C26H18N6O3S MolecularWeight: 494.52452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CS3)C(=O)OCN4C(=O)C5=CC=CC=C5N=N4)C6=CC=CC=C6

Isomeric SMILES

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CS3)C(=O)OCN4C(=O)C5=CC=CC=C5N=N4)C6=CC=CC=C6

InChI

InChI=1S/C26H18N6O3S/c1-16-23-19(26(34)35-15-31-25(33)18-10-5-6-11-20(18)28-30-31)14-21(22-12-7-13-36-22)27-24(23)32(29-16)17-8-3-2-4-9-17/h2-14H,15H2,1H3