2-[5-oxidanylidene-4-[4-(trifluoromethyloxy)phenyl]-1,2,4-triazol-1-yl]ethanenitrile

Systemtic Name: 2-[5-oxidanylidene-4-[4-(trifluoromethyloxy)phenyl]-1,2,4-triazol-1-yl]ethanenitrile Openeye Name: 2-[5-oxo-4-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-1-yl]acetonitrile CAS Name: 2-[5-oxo-4-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-1-yl]acetonitrile IUPAC Name: 2-[5-oxo-4-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-1-yl]acetonitrile Traditional Name: 2-[5-keto-4-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-1-yl]acetonitrile Formula: C11H7F3N4O2 MolecularWeight: 284.19409

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C=NN(C2=O)CC#N)OC(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1N2C=NN(C2=O)CC#N)OC(F)(F)F

InChI

InChI=1S/C11H7F3N4O2/c12-11(13,14)20-9-3-1-8(2-4-9)17-7-16-18(6-5-15)10(17)19/h1-4,7H,6H2