5-(2,2-dimethylpropylamino)-1-(5-methylsulfonylpyridin-2-yl)-3-(trifluoromethyl)pyrazole-4-carbonitrile

Systemtic Name: 5-(2,2-dimethylpropylamino)-1-(5-methylsulfonylpyridin-2-yl)-3-(trifluoromethyl)pyrazole-4-carbonitrile Openeye Name: 5-(2,2-dimethylpropylamino)-1-(5-methylsulfonyl-2-pyridyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile CAS Name: 5-(2,2-dimethylpropylamino)-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)-4-pyrazolecarbonitrile IUPAC Name: 5-(2,2-dimethylpropylamino)-1-(5-methylsulfonylpyridin-2-yl)-3-(trifluoromethyl)pyrazole-4-carbonitrile Traditional Name: 1-(5-mesyl-2-pyridyl)-5-(neopentylamino)-3-(trifluoromethyl)pyrazole-4-carbonitrile Formula: C16H18F3N5O2S MolecularWeight: 401.40663

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CNC1=C(C(=NN1C2=NC=C(C=C2)S(=O)(=O)C)C(F)(F)F)C#N

Isomeric SMILES

CC(C)(C)CNC1=C(C(=NN1C2=NC=C(C=C2)S(=O)(=O)C)C(F)(F)F)C#N

InChI

InChI=1S/C16H18F3N5O2S/c1-15(2,3)9-22-14-11(7-20)13(16(17,18)19)23-24(14)12-6-5-10(8-21-12)27(4,25)26/h5-6,8,22H,9H2,1-4H3