(3,4-dimethyl-1-phenyl-pyrazolo[3,4-b]pyridin-6-yl) 4-methylbenzenesulfonate

Systemtic Name: (3,4-dimethyl-1-phenyl-pyrazolo[3,4-b]pyridin-6-yl) 4-methylbenzenesulfonate Openeye Name: (3,4-dimethyl-1-phenyl-pyrazolo[3,4-b]pyridin-6-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3,4-dimethyl-1-phenyl-6-pyrazolo[3,4-b]pyridinyl) ester IUPAC Name: (3,4-dimethyl-1-phenylpyrazolo[3,4-b]pyridin-6-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3,4-dimethyl-1-phenyl-pyrazolo[3,4-b]pyridin-6-yl) ester Formula: C21H19N3O3S MolecularWeight: 393.45886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=NC3=C(C(=C2)C)C(=NN3C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=NC3=C(C(=C2)C)C(=NN3C4=CC=CC=C4)C

InChI

InChI=1S/C21H19N3O3S/c1-14-9-11-18(12-10-14)28(25,26)27-19-13-15(2)20-16(3)23-24(21(20)22-19)17-7-5-4-6-8-17/h4-13H,1-3H3