2-[5-methylsulfonyl-2-pyridin-2-yl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenecarbonitrile

Systemtic Name: 2-[5-methylsulfonyl-2-pyridin-2-yl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenecarbonitrile Openeye Name: 2-[5-methylsulfonyl-2-(2-pyridyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzonitrile CAS Name: 2-[5-methylsulfonyl-2-(2-pyridinyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzonitrile IUPAC Name: 2-[5-methylsulfonyl-2-pyridin-2-yl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzonitrile Traditional Name: 2-[5-mesyl-2-(2-pyridyl)-5-(trifluoromethyl)-3-pyrazolin-3-yl]benzonitrile Formula: C17H13F3N4O2S MolecularWeight: 394.37093

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1(C=C(N(N1)C2=CC=CC=N2)C3=CC=CC=C3C#N)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1(C=C(N(N1)C2=CC=CC=N2)C3=CC=CC=C3C#N)C(F)(F)F

InChI

InChI=1S/C17H13F3N4O2S/c1-27(25,26)16(17(18,19)20)10-14(13-7-3-2-6-12(13)11-21)24(23-16)15-8-4-5-9-22-15/h2-10,23H,1H3