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

Systemtic Name: [1,3-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-6-yl] 4-methylbenzenesulfonate Openeye Name: [1,3-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-6-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1,3-dimethyl-4-(trifluoromethyl)-6-pyrazolo[3,4-b]pyridinyl] ester IUPAC Name: [1,3-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-6-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [1,3-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-6-yl] ester Formula: C16H14F3N3O3S MolecularWeight: 385.36087

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=NC3=C(C(=NN3C)C)C(=C2)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=NC3=C(C(=NN3C)C)C(=C2)C(F)(F)F

InChI

InChI=1S/C16H14F3N3O3S/c1-9-4-6-11(7-5-9)26(23,24)25-13-8-12(16(17,18)19)14-10(2)21-22(3)15(14)20-13/h4-8H,1-3H3