[3,7-bis(2-fluorophenyl)pyrazolo[1,5-d][1,2,4]triazin-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [3,7-bis(2-fluorophenyl)pyrazolo[1,5-d][1,2,4]triazin-2-yl] 4-methylbenzenesulfonate Openeye Name: [3,7-bis(2-fluorophenyl)pyrazolo[1,5-d][1,2,4]triazin-2-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3,7-bis(2-fluorophenyl)-2-pyrazolo[1,5-d][1,2,4]triazinyl] ester IUPAC Name: [3,7-bis(2-fluorophenyl)pyrazolo[1,5-d][1,2,4]triazin-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3,7-bis(2-fluorophenyl)pyrazolo[1,5-d][1,2,4]triazin-2-yl] ester Formula: C24H16F2N4O3S MolecularWeight: 478.470646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=NN3C(=C2C4=CC=CC=C4F)C=NN=C3C5=CC=CC=C5F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=NN3C(=C2C4=CC=CC=C4F)C=NN=C3C5=CC=CC=C5F

InChI

InChI=1S/C24H16F2N4O3S/c1-15-10-12-16(13-11-15)34(31,32)33-24-22(17-6-2-4-8-19(17)25)21-14-27-28-23(30(21)29-24)18-7-3-5-9-20(18)26/h2-14H,1H3