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

Systemtic Name: 4-methyl-2-phenyl-5-(trifluoromethyl)-1,2,4-triazol-3-one Openeye Name: 4-methyl-2-phenyl-5-(trifluoromethyl)-1,2,4-triazol-3-one CAS Name: 4-methyl-2-phenyl-5-(trifluoromethyl)-1,2,4-triazol-3-one IUPAC Name: 4-methyl-2-phenyl-5-(trifluoromethyl)-1,2,4-triazol-3-one Traditional Name: 4-methyl-2-phenyl-5-(trifluoromethyl)-1,2,4-triazol-3-one Formula: C10H8F3N3O MolecularWeight: 243.18523

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=O)C2=CC=CC=C2)C(F)(F)F

Isomeric SMILES

CN1C(=NN(C1=O)C2=CC=CC=C2)C(F)(F)F

InChI

InChI=1S/C10H8F3N3O/c1-15-8(10(11,12)13)14-16(9(15)17)7-5-3-2-4-6-7/h2-6H,1H3