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

Systemtic Name: 4-(5-chloranyl-2-methoxy-phenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-(5-chloro-2-methoxy-phenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazol-5-one CAS Name: 4-(5-chloro-2-methoxyphenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazol-5-one IUPAC Name: 4-(5-chloro-2-methoxyphenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-(5-chloro-2-methoxy-phenyl)-3-[4-(trifluoromethyl)benzyl]-1H-1,2,4-triazol-5-one Formula: C17H13ClF3N3O2 MolecularWeight: 383.75223

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)N2C(=NNC2=O)CC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)N2C(=NNC2=O)CC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C17H13ClF3N3O2/c1-26-14-7-6-12(18)9-13(14)24-15(22-23-16(24)25)8-10-2-4-11(5-3-10)17(19,20)21/h2-7,9H,8H2,1H3,(H,23,25)