5-chloranyl-2-fluoranyl-4-[4-methyl-5-oxidanylidene-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenecarbonitrile

Systemtic Name: 5-chloranyl-2-fluoranyl-4-[4-methyl-5-oxidanylidene-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenecarbonitrile Openeye Name: 5-chloro-2-fluoro-4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzonitrile CAS Name: 5-chloro-2-fluoro-4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzonitrile IUPAC Name: 5-chloro-2-fluoro-4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzonitrile Traditional Name: 5-chloro-2-fluoro-4-[5-keto-4-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzonitrile Formula: C11H5ClF4N4O MolecularWeight: 320.630213

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=O)C2=C(C=C(C(=C2)F)C#N)Cl)C(F)(F)F

Isomeric SMILES

CN1C(=NN(C1=O)C2=C(C=C(C(=C2)F)C#N)Cl)C(F)(F)F

InChI

InChI=1S/C11H5ClF4N4O/c1-19-9(11(14,15)16)18-20(10(19)21)8-3-7(13)5(4-17)2-6(8)12/h2-3H,1H3