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

Systemtic Name: 5-methyl-2-(phenylmethyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-one Openeye Name: 2-benzyl-5-methyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-one CAS Name: 5-methyl-2-(phenylmethyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-one IUPAC Name: 2-benzyl-5-methyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-one Traditional Name: 2-benzyl-5-methyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-one Formula: C17H14F3N3O MolecularWeight: 333.30777

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)CC3=CC=CC=C3

InChI

InChI=1S/C17H14F3N3O/c1-12-21-22(11-13-6-3-2-4-7-13)16(24)23(12)15-9-5-8-14(10-15)17(18,19)20/h2-10H,11H2,1H3