5-(2-methylprop-2-enylamino)-1-(5-methylsulfonylpyridin-2-yl)-3-(trifluoromethyl)pyrazole-4-carbonitrile

Systemtic Name: 5-(2-methylprop-2-enylamino)-1-(5-methylsulfonylpyridin-2-yl)-3-(trifluoromethyl)pyrazole-4-carbonitrile Openeye Name: 5-(2-methylallylamino)-1-(5-methylsulfonyl-2-pyridyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile CAS Name: 5-(2-methylprop-2-enylamino)-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)-4-pyrazolecarbonitrile IUPAC Name: 5-(2-methylprop-2-enylamino)-1-(5-methylsulfonylpyridin-2-yl)-3-(trifluoromethyl)pyrazole-4-carbonitrile Traditional Name: 1-(5-mesyl-2-pyridyl)-5-(2-methylallylamino)-3-(trifluoromethyl)pyrazole-4-carbonitrile Formula: C15H14F3N5O2S MolecularWeight: 385.36417

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14F3N5O2S/c1-9(2)7-21-14-11(6-19)13(15(16,17)18)22-23(14)12-5-4-10(8-20-12)26(3,24)25/h4-5,8,21H,1,7H2,2-3H3