1-(5-methylsulfonylpyridin-2-yl)-5-(piperidin-1-ylamino)-3-(trifluoromethyl)pyrazole-4-carbonitrile

Systemtic Name: 1-(5-methylsulfonylpyridin-2-yl)-5-(piperidin-1-ylamino)-3-(trifluoromethyl)pyrazole-4-carbonitrile Openeye Name: 1-(5-methylsulfonyl-2-pyridyl)-5-(1-piperidylamino)-3-(trifluoromethyl)pyrazole-4-carbonitrile CAS Name: 1-(5-methylsulfonyl-2-pyridinyl)-5-(1-piperidinylamino)-3-(trifluoromethyl)-4-pyrazolecarbonitrile IUPAC Name: 1-(5-methylsulfonylpyridin-2-yl)-5-(piperidin-1-ylamino)-3-(trifluoromethyl)pyrazole-4-carbonitrile Traditional Name: 1-(5-mesyl-2-pyridyl)-5-(piperidinoamino)-3-(trifluoromethyl)pyrazole-4-carbonitrile Formula: C16H17F3N6O2S MolecularWeight: 414.40539

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CN=C(C=C1)N2C(=C(C(=N2)C(F)(F)F)C#N)NN3CCCCC3

Isomeric SMILES

CS(=O)(=O)C1=CN=C(C=C1)N2C(=C(C(=N2)C(F)(F)F)C#N)NN3CCCCC3

InChI

InChI=1S/C16H17F3N6O2S/c1-28(26,27)11-5-6-13(21-10-11)25-15(23-24-7-3-2-4-8-24)12(9-20)14(22-25)16(17,18)19/h5-6,10,23H,2-4,7-8H2,1H3