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

Systemtic Name: 3-[bis(fluoranyl)methyl]-5-(butan-2-ylamino)-1-(5-methylsulfonylpyridin-2-yl)pyrazole-4-carbonitrile Openeye Name: 3-(difluoromethyl)-1-(5-methylsulfonyl-2-pyridyl)-5-(sec-butylamino)pyrazole-4-carbonitrile CAS Name: 5-(butan-2-ylamino)-3-(difluoromethyl)-1-(5-methylsulfonyl-2-pyridinyl)-4-pyrazolecarbonitrile IUPAC Name: 5-(butan-2-ylamino)-3-(difluoromethyl)-1-(5-methylsulfonylpyridin-2-yl)pyrazole-4-carbonitrile Traditional Name: 3-(difluoromethyl)-1-(5-mesyl-2-pyridyl)-5-(sec-butylamino)pyrazole-4-carbonitrile Formula: C15H17F2N5O2S MolecularWeight: 369.389586

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=C(C(=NN1C2=NC=C(C=C2)S(=O)(=O)C)C(F)F)C#N

Isomeric SMILES

CCC(C)NC1=C(C(=NN1C2=NC=C(C=C2)S(=O)(=O)C)C(F)F)C#N

InChI

InChI=1S/C15H17F2N5O2S/c1-4-9(2)20-15-11(7-18)13(14(16)17)21-22(15)12-6-5-10(8-19-12)25(3,23)24/h5-6,8-9,14,20H,4H2,1-3H3