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

Systemtic Name: 1-(5-methylsulfonylpyridin-2-yl)-5-(1,2,4-triazol-4-ylamino)-3-(trifluoromethyl)pyrazole-4-carbonitrile Openeye Name: 1-(5-methylsulfonyl-2-pyridyl)-5-(1,2,4-triazol-4-ylamino)-3-(trifluoromethyl)pyrazole-4-carbonitrile CAS Name: 1-(5-methylsulfonyl-2-pyridinyl)-5-(1,2,4-triazol-4-ylamino)-3-(trifluoromethyl)-4-pyrazolecarbonitrile IUPAC Name: 1-(5-methylsulfonylpyridin-2-yl)-5-(1,2,4-triazol-4-ylamino)-3-(trifluoromethyl)pyrazole-4-carbonitrile Traditional Name: 1-(5-mesyl-2-pyridyl)-5-(1,2,4-triazol-4-ylamino)-3-(trifluoromethyl)pyrazole-4-carbonitrile Formula: C13H9F3N8O2S MolecularWeight: 398.32317

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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)NN3C=NN=C3

Isomeric SMILES

CS(=O)(=O)C1=CN=C(C=C1)N2C(=C(C(=N2)C(F)(F)F)C#N)NN3C=NN=C3

InChI

InChI=1S/C13H9F3N8O2S/c1-27(25,26)8-2-3-10(18-5-8)24-12(22-23-6-19-20-7-23)9(4-17)11(21-24)13(14,15)16/h2-3,5-7,22H,1H3