1-[5-(2-methylprop-2-enylamino)-1-(5-methylsulfonylpyridin-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]ethanone

Systemtic Name: 1-[5-(2-methylprop-2-enylamino)-1-(5-methylsulfonylpyridin-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]ethanone Openeye Name: 1-[5-(2-methylallylamino)-1-(5-methylsulfonyl-2-pyridyl)-3-(trifluoromethyl)pyrazol-4-yl]ethanone CAS Name: 1-[5-(2-methylprop-2-enylamino)-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)-4-pyrazolyl]ethanone IUPAC Name: 1-[5-(2-methylprop-2-enylamino)-1-(5-methylsulfonylpyridin-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]ethanone Traditional Name: 1-[1-(5-mesyl-2-pyridyl)-5-(2-methylallylamino)-3-(trifluoromethyl)pyrazol-4-yl]ethanone Formula: C16H17F3N4O3S MolecularWeight: 402.39139

Click to see the large picture

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(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C16H17F3N4O3S/c1-9(2)7-21-15-13(10(3)24)14(16(17,18)19)22-23(15)12-6-5-11(8-20-12)27(4,25)26/h5-6,8,21H,1,7H2,2-4H3