2-[(2-bromophenyl)methyl]-1H-1,2,4-triazol-3-one

Systemtic Name: 2-[(2-bromophenyl)methyl]-1H-1,2,4-triazol-3-one Openeye Name: 2-[(2-bromophenyl)methyl]-1H-1,2,4-triazol-3-one CAS Name: 2-[(2-bromophenyl)methyl]-1H-1,2,4-triazol-3-one IUPAC Name: 2-[(2-bromophenyl)methyl]-1H-1,2,4-triazol-3-one Traditional Name: 2-(2-bromobenzyl)-1H-1,2,4-triazol-3-one Formula: C9H8BrN3O MolecularWeight: 254.08332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C(=O)N=CN2)Br

Isomeric SMILES

C1=CC=C(C(=C1)CN2C(=O)N=CN2)Br

InChI

InChI=1S/C9H8BrN3O/c10-8-4-2-1-3-7(8)5-13-9(14)11-6-12-13/h1-4,6H,5H2,(H,11,12,14)