1-(5-methylsulfonylpyridin-2-yl)-3-(trifluoromethyl)-5-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)pyrazole-4-carbonitrile

Systemtic Name: 1-(5-methylsulfonylpyridin-2-yl)-3-(trifluoromethyl)-5-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)pyrazole-4-carbonitrile Openeye Name: 1-(5-methylsulfonyl-2-pyridyl)-3-(trifluoromethyl)-5-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)pyrazole-4-carbonitrile CAS Name: 1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)-5-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)-4-pyrazolecarbonitrile IUPAC Name: 1-(5-methylsulfonylpyridin-2-yl)-3-(trifluoromethyl)-5-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)pyrazole-4-carbonitrile Traditional Name: 1-(5-mesyl-2-pyridyl)-3-(trifluoromethyl)-5-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)pyrazole-4-carbonitrile Formula: C21H24F3N5O2S MolecularWeight: 467.50777

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2CC(C1)(CN2C3=C(C(=NN3C4=NC=C(C=C4)S(=O)(=O)C)C(F)(F)F)C#N)C)C

Isomeric SMILES

CC1(CC2CC(C1)(CN2C3=C(C(=NN3C4=NC=C(C=C4)S(=O)(=O)C)C(F)(F)F)C#N)C)C

InChI

InChI=1S/C21H24F3N5O2S/c1-19(2)7-13-8-20(3,11-19)12-28(13)18-15(9-25)17(21(22,23)24)27-29(18)16-6-5-14(10-26-16)32(4,30)31/h5-6,10,13H,7-8,11-12H2,1-4H3