2-[3,4,6-tris(fluoranyl)-2-methyl-phenyl]-1H-1,2,4-triazol-3-one

Systemtic Name: 2-[3,4,6-tris(fluoranyl)-2-methyl-phenyl]-1H-1,2,4-triazol-3-one Openeye Name: 2-(3,4,6-trifluoro-2-methyl-phenyl)-1H-1,2,4-triazol-3-one CAS Name: 2-(3,4,6-trifluoro-2-methylphenyl)-1H-1,2,4-triazol-3-one IUPAC Name: 2-(3,4,6-trifluoro-2-methylphenyl)-1H-1,2,4-triazol-3-one Traditional Name: 2-(3,4,6-trifluoro-2-methyl-phenyl)-1H-1,2,4-triazol-3-one Formula: C9H6F3N3O MolecularWeight: 229.15865

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1F)F)F)N2C(=O)N=CN2

Isomeric SMILES

CC1=C(C(=CC(=C1F)F)F)N2C(=O)N=CN2

InChI

InChI=1S/C9H6F3N3O/c1-4-7(12)5(10)2-6(11)8(4)15-9(16)13-3-14-15/h2-3H,1H3,(H,13,14,16)