3,5-dimethyl-4-(phenylsulfonylmethyl)-1-(trifluoromethylsulfonyl)pyrazole

Systemtic Name: 3,5-dimethyl-4-(phenylsulfonylmethyl)-1-(trifluoromethylsulfonyl)pyrazole Openeye Name: 4-(benzenesulfonylmethyl)-3,5-dimethyl-1-(trifluoromethylsulfonyl)pyrazole CAS Name: 4-(benzenesulfonylmethyl)-3,5-dimethyl-1-(trifluoromethylsulfonyl)pyrazole IUPAC Name: 4-(benzenesulfonylmethyl)-3,5-dimethyl-1-(trifluoromethylsulfonyl)pyrazole Traditional Name: 4-(besylmethyl)-3,5-dimethyl-1-triflyl-pyrazole Formula: C13H13F3N2O4S2 MolecularWeight: 382.37853

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1S(=O)(=O)C(F)(F)F)C)CS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=NN1S(=O)(=O)C(F)(F)F)C)CS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H13F3N2O4S2/c1-9-12(8-23(19,20)11-6-4-3-5-7-11)10(2)18(17-9)24(21,22)13(14,15)16/h3-7H,8H2,1-2H3