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

Systemtic Name: 2-(3-bromophenyl)-1H-1,2,4-triazol-3-one Openeye Name: 2-(3-bromophenyl)-1H-1,2,4-triazol-3-one CAS Name: 2-(3-bromophenyl)-1H-1,2,4-triazol-3-one IUPAC Name: 2-(3-bromophenyl)-1H-1,2,4-triazol-3-one Traditional Name: 2-(3-bromophenyl)-1H-1,2,4-triazol-3-one Formula: C8H6BrN3O MolecularWeight: 240.05674

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)N2C(=O)N=CN2

Isomeric SMILES

C1=CC(=CC(=C1)Br)N2C(=O)N=CN2

InChI

InChI=1S/C8H6BrN3O/c9-6-2-1-3-7(4-6)12-8(13)10-5-11-12/h1-5H,(H,10,11,13)