3-[bis(fluoranyl)methyl]-5-(2-methylprop-2-enylamino)-1-(5-methylsulfonylpyridin-2-yl)pyrazole-4-carbonitrile

Systemtic Name: 3-[bis(fluoranyl)methyl]-5-(2-methylprop-2-enylamino)-1-(5-methylsulfonylpyridin-2-yl)pyrazole-4-carbonitrile Openeye Name: 3-(difluoromethyl)-5-(2-methylallylamino)-1-(5-methylsulfonyl-2-pyridyl)pyrazole-4-carbonitrile CAS Name: 3-(difluoromethyl)-5-(2-methylprop-2-enylamino)-1-(5-methylsulfonyl-2-pyridinyl)-4-pyrazolecarbonitrile IUPAC Name: 3-(difluoromethyl)-5-(2-methylprop-2-enylamino)-1-(5-methylsulfonylpyridin-2-yl)pyrazole-4-carbonitrile Traditional Name: 3-(difluoromethyl)-1-(5-mesyl-2-pyridyl)-5-(2-methylallylamino)pyrazole-4-carbonitrile Formula: C15H15F2N5O2S MolecularWeight: 367.373706

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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)C#N

Isomeric SMILES

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

InChI

InChI=1S/C15H15F2N5O2S/c1-9(2)7-20-15-11(6-18)13(14(16)17)21-22(15)12-5-4-10(8-19-12)25(3,23)24/h4-5,8,14,20H,1,7H2,2-3H3