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

Systemtic Name: 3-[[3-(3-bromanylphenoxy)-4-methyl-phenyl]methyl]-4-methyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[[3-(3-bromophenoxy)-4-methyl-phenyl]methyl]-4-methyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[3-(3-bromophenoxy)-4-methylphenyl]methyl]-4-methyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[[3-(3-bromophenoxy)-4-methylphenyl]methyl]-4-methyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[3-(3-bromophenoxy)-4-methyl-benzyl]-4-methyl-1H-1,2,4-triazol-5-one Formula: C17H16BrN3O2 MolecularWeight: 374.23184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CC2=NNC(=O)N2C)OC3=CC(=CC=C3)Br

Isomeric SMILES

CC1=C(C=C(C=C1)CC2=NNC(=O)N2C)OC3=CC(=CC=C3)Br

InChI

InChI=1S/C17H16BrN3O2/c1-11-6-7-12(9-16-19-20-17(22)21(16)2)8-15(11)23-14-5-3-4-13(18)10-14/h3-8,10H,9H2,1-2H3,(H,20,22)