1-methyl-3-(trifluoromethyl)-5-[[3-(trifluoromethyl)phenyl]methylsulfonyl]pyrazole-4-carbonitrile

Systemtic Name: 1-methyl-3-(trifluoromethyl)-5-[[3-(trifluoromethyl)phenyl]methylsulfonyl]pyrazole-4-carbonitrile Openeye Name: 1-methyl-3-(trifluoromethyl)-5-[[3-(trifluoromethyl)phenyl]methylsulfonyl]pyrazole-4-carbonitrile CAS Name: 1-methyl-3-(trifluoromethyl)-5-[[3-(trifluoromethyl)phenyl]methylsulfonyl]-4-pyrazolecarbonitrile IUPAC Name: 1-methyl-3-(trifluoromethyl)-5-[[3-(trifluoromethyl)phenyl]methylsulfonyl]pyrazole-4-carbonitrile Traditional Name: 1-methyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)benzyl]sulfonyl-pyrazole-4-carbonitrile Formula: C14H9F6N3O2S MolecularWeight: 397.295579

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C(F)(F)F)C#N)S(=O)(=O)CC2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

CN1C(=C(C(=N1)C(F)(F)F)C#N)S(=O)(=O)CC2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C14H9F6N3O2S/c1-23-12(10(6-21)11(22-23)14(18,19)20)26(24,25)7-8-3-2-4-9(5-8)13(15,16)17/h2-5H,7H2,1H3