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

Systemtic Name: 3-[[3-(5-bromanyl-2-chloranyl-phenoxy)-4-chloranyl-phenyl]methyl]-4-methyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[[3-(5-bromo-2-chloro-phenoxy)-4-chloro-phenyl]methyl]-4-methyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[3-(5-bromo-2-chlorophenoxy)-4-chlorophenyl]methyl]-4-methyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[[3-(5-bromo-2-chlorophenoxy)-4-chlorophenyl]methyl]-4-methyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[3-(5-bromo-2-chloro-phenoxy)-4-chloro-benzyl]-4-methyl-1H-1,2,4-triazol-5-one Formula: C16H12BrCl2N3O2 MolecularWeight: 429.09538

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NNC1=O)CC2=CC(=C(C=C2)Cl)OC3=C(C=CC(=C3)Br)Cl

Isomeric SMILES

CN1C(=NNC1=O)CC2=CC(=C(C=C2)Cl)OC3=C(C=CC(=C3)Br)Cl

InChI

InChI=1S/C16H12BrCl2N3O2/c1-22-15(20-21-16(22)23)7-9-2-4-11(18)13(6-9)24-14-8-10(17)3-5-12(14)19/h2-6,8H,7H2,1H3,(H,21,23)