[5-[[2,4-bis(fluoranyl)phenoxy]sulfinylamino]-2-methyl-phenyl] (6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)methanesulfinate

Systemtic Name: [5-[[2,4-bis(fluoranyl)phenoxy]sulfinylamino]-2-methyl-phenyl] (6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)methanesulfinate Openeye Name: [5-[(2,4-difluorophenoxy)sulfinylamino]-2-methyl-phenyl] (6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)methanesulfinate CAS Name: (6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)methanesulfinic acid [5-[(2,4-difluorophenoxy)sulfinylamino]-2-methylphenyl] ester IUPAC Name: [5-[(2,4-difluorophenoxy)sulfinylamino]-2-methylphenyl] (6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)methanesulfinate Traditional Name: (6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)methanesulfinic acid [5-[(2,4-difluorophenoxy)sulfinylamino]-2-methyl-phenyl] ester Formula: C22H23F2N5O4S2 MolecularWeight: 523.575926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NS(=O)OC2=C(C=C(C=C2)F)F)OS(=O)CC3=NN=C4N3NC(=C4)C(C)(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NS(=O)OC2=C(C=C(C=C2)F)F)OS(=O)CC3=NN=C4N3NC(=C4)C(C)(C)C

InChI

InChI=1S/C22H23F2N5O4S2/c1-13-5-7-15(28-35(31)33-17-8-6-14(23)9-16(17)24)10-18(13)32-34(30)12-21-26-25-20-11-19(22(2,3)4)27-29(20)21/h5-11,27-28H,12H2,1-4H3