5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-one

Systemtic Name: 5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-one Openeye Name: 5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-one CAS Name: 5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-one IUPAC Name: 5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-one Traditional Name: 5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-one Formula: C9H4F3N3O MolecularWeight: 227.14277

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC(=O)N=N2)C(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC(=O)N=N2)C(F)(F)F

InChI

InChI=1S/C9H4F3N3O/c10-9(11,12)6-4-2-1-3-5(6)7-13-8(16)15-14-7/h1-4H