4-[1-ethyl-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]benzenecarbonitrile

Systemtic Name: 4-[1-ethyl-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]benzenecarbonitrile Openeye Name: 4-[1-ethyl-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]benzonitrile CAS Name: 4-[1-ethyl-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4-pyrazolyl]benzonitrile IUPAC Name: 4-[1-ethyl-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]benzonitrile Traditional Name: 4-[1-ethyl-3-(4-mesylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]benzonitrile Formula: C20H16F3N3O2S MolecularWeight: 419.42015

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)C#N)C(F)(F)F

Isomeric SMILES

CCN1C(=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)C#N)C(F)(F)F

InChI

InChI=1S/C20H16F3N3O2S/c1-3-26-19(20(21,22)23)17(14-6-4-13(12-24)5-7-14)18(25-26)15-8-10-16(11-9-15)29(2,27)28/h4-11H,3H2,1-2H3