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

Systemtic Name: 2-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-one Openeye Name: 2-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-one CAS Name: 2-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-one IUPAC Name: 2-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-one Traditional Name: 2-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-one Formula: C9H6F3N3O MolecularWeight: 229.15865

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(F)(F)F)N2C(=O)N=CN2

Isomeric SMILES

C1=CC(=CC=C1C(F)(F)F)N2C(=O)N=CN2

InChI

InChI=1S/C9H6F3N3O/c10-9(11,12)6-1-3-7(4-2-6)15-8(16)13-5-14-15/h1-5H,(H,13,14,16)