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

Systemtic Name: 5-methyl-2-(2-phenoxyethyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-one Openeye Name: 5-methyl-2-(2-phenoxyethyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-one CAS Name: 5-methyl-2-(2-phenoxyethyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-one IUPAC Name: 5-methyl-2-(2-phenoxyethyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-one Traditional Name: 5-methyl-2-(2-phenoxyethyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-one Formula: C18H16F3N3O2 MolecularWeight: 363.33375

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)CCOC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)CCOC3=CC=CC=C3

InChI

InChI=1S/C18H16F3N3O2/c1-13-22-23(10-11-26-16-8-3-2-4-9-16)17(25)24(13)15-7-5-6-14(12-15)18(19,20)21/h2-9,12H,10-11H2,1H3