2-[3-methyl-5-oxidanylidene-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethanenitrile

Systemtic Name: 2-[3-methyl-5-oxidanylidene-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethanenitrile Openeye Name: 2-[3-methyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]acetonitrile CAS Name: 2-[3-methyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]acetonitrile IUPAC Name: 2-[3-methyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]acetonitrile Traditional Name: 2-[5-keto-3-methyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]acetonitrile Formula: C12H9F3N4O MolecularWeight: 282.22127

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)CC#N

Isomeric SMILES

CC1=NN(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)CC#N

InChI

InChI=1S/C12H9F3N4O/c1-8-17-18(6-5-16)11(20)19(8)10-4-2-3-9(7-10)12(13,14)15/h2-4,7H,6H2,1H3