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

Systemtic Name: 3-[[3-(3-bromanylphenoxy)-4-chloranyl-phenyl]methyl]-4-methyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[[3-(3-bromophenoxy)-4-chloro-phenyl]methyl]-4-methyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[3-(3-bromophenoxy)-4-chlorophenyl]methyl]-4-methyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[[3-(3-bromophenoxy)-4-chlorophenyl]methyl]-4-methyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[3-(3-bromophenoxy)-4-chloro-benzyl]-4-methyl-1H-1,2,4-triazol-5-one Formula: C16H13BrClN3O2 MolecularWeight: 394.65032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13BrClN3O2/c1-21-15(19-20-16(21)22)8-10-5-6-13(18)14(7-10)23-12-4-2-3-11(17)9-12/h2-7,9H,8H2,1H3,(H,20,22)