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

Systemtic Name: 2-[[4-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazol-3-one Openeye Name: 2-[[4-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazol-3-one CAS Name: 2-[[4-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazol-3-one IUPAC Name: 2-[[4-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazol-3-one Traditional Name: 2-[4-(trifluoromethyl)benzyl]-1H-1,2,4-triazol-3-one Formula: C10H8F3N3O MolecularWeight: 243.18523

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C(=O)N=CN2)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1CN2C(=O)N=CN2)C(F)(F)F

InChI

InChI=1S/C10H8F3N3O/c11-10(12,13)8-3-1-7(2-4-8)5-16-9(17)14-6-15-16/h1-4,6H,5H2,(H,14,15,17)