2-(4-azanyl-1,2,4-triazol-4-ium-1-yl)-1-(4-chloranyl-2-oxidanyl-phenyl)ethanone bromide

Systemtic Name: 2-(4-azanyl-1,2,4-triazol-4-ium-1-yl)-1-(4-chloranyl-2-oxidanyl-phenyl)ethanone bromide Openeye Name: 2-(4-amino-1,2,4-triazol-4-ium-1-yl)-1-(4-chloro-2-hydroxy-phenyl)ethanone bromide CAS Name: 2-(4-amino-1,2,4-triazol-4-ium-1-yl)-1-(4-chloro-2-hydroxyphenyl)ethanone bromide IUPAC Name: 2-(4-amino-1,2,4-triazol-4-ium-1-yl)-1-(4-chloro-2-hydroxyphenyl)ethanone bromide Traditional Name: 2-(4-amino-1,2,4-triazol-4-ium-1-yl)-1-(4-chloro-2-hydroxy-phenyl)ethanone bromide Formula: C10H10BrClN4O2 MolecularWeight: 333.569

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)O)C(=O)CN2C=[N+](C=N2)N.[Br-]

Isomeric SMILES

C1=CC(=C(C=C1Cl)O)C(=O)CN2C=[N+](C=N2)N.[Br-]

InChI

InChI=1S/C10H9ClN4O2.BrH/c11-7-1-2-8(9(16)3-7)10(17)4-15-6-14(12)5-13-15;/h1-3,5-6H,4,12H2;1H