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

Systemtic Name: 5-(butan-2-ylamino)-1-(5-methylsulfonylpyridin-2-yl)-3-(trifluoromethyl)pyrazole-4-carbonitrile Openeye Name: 1-(5-methylsulfonyl-2-pyridyl)-5-(sec-butylamino)-3-(trifluoromethyl)pyrazole-4-carbonitrile CAS Name: 5-(butan-2-ylamino)-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)-4-pyrazolecarbonitrile IUPAC Name: 5-(butan-2-ylamino)-1-(5-methylsulfonylpyridin-2-yl)-3-(trifluoromethyl)pyrazole-4-carbonitrile Traditional Name: 1-(5-mesyl-2-pyridyl)-5-(sec-butylamino)-3-(trifluoromethyl)pyrazole-4-carbonitrile Formula: C15H16F3N5O2S MolecularWeight: 387.38005

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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)F)C#N

Isomeric SMILES

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

InChI

InChI=1S/C15H16F3N5O2S/c1-4-9(2)21-14-11(7-19)13(15(16,17)18)22-23(14)12-6-5-10(8-20-12)26(3,24)25/h5-6,8-9,21H,4H2,1-3H3