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

Systemtic Name: 1-(5-methylsulfonylpyridin-2-yl)-5-(3-oxidanylidenepyrazolidin-1-yl)-3-(trifluoromethyl)pyrazole-4-carbonitrile Openeye Name: 1-(5-methylsulfonyl-2-pyridyl)-5-(3-oxopyrazolidin-1-yl)-3-(trifluoromethyl)pyrazole-4-carbonitrile CAS Name: 1-(5-methylsulfonyl-2-pyridinyl)-5-(3-oxo-1-pyrazolidinyl)-3-(trifluoromethyl)-4-pyrazolecarbonitrile IUPAC Name: 1-(5-methylsulfonylpyridin-2-yl)-5-(3-oxopyrazolidin-1-yl)-3-(trifluoromethyl)pyrazole-4-carbonitrile Traditional Name: 5-(3-ketopyrazolidin-1-yl)-1-(5-mesyl-2-pyridyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile Formula: C14H11F3N6O3S MolecularWeight: 400.33575

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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)N3CCC(=O)N3

Isomeric SMILES

CS(=O)(=O)C1=CN=C(C=C1)N2C(=C(C(=N2)C(F)(F)F)C#N)N3CCC(=O)N3

InChI

InChI=1S/C14H11F3N6O3S/c1-27(25,26)8-2-3-10(19-7-8)23-13(22-5-4-11(24)20-22)9(6-18)12(21-23)14(15,16)17/h2-3,7H,4-5H2,1H3,(H,20,24)