4-[2-(4-azanyl-1,2,4-triazol-4-ium-1-yl)ethanoyl]benzenecarbonitrile bromide

Systemtic Name: 4-[2-(4-azanyl-1,2,4-triazol-4-ium-1-yl)ethanoyl]benzenecarbonitrile bromide Openeye Name: 4-[2-(4-amino-1,2,4-triazol-4-ium-1-yl)acetyl]benzonitrile bromide CAS Name: 4-[2-(4-amino-1,2,4-triazol-4-ium-1-yl)-1-oxoethyl]benzonitrile bromide IUPAC Name: 4-[2-(4-amino-1,2,4-triazol-4-ium-1-yl)acetyl]benzonitrile bromide Traditional Name: 4-[2-(4-amino-1,2,4-triazol-4-ium-1-yl)acetyl]benzonitrile bromide Formula: C11H10BrN5O MolecularWeight: 308.134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C(=O)CN2C=[N+](C=N2)N.[Br-]

Isomeric SMILES

C1=CC(=CC=C1C#N)C(=O)CN2C=[N+](C=N2)N.[Br-]

InChI

InChI=1S/C11H10N5O.BrH/c12-5-9-1-3-10(4-2-9)11(17)6-16-8-15(13)7-14-16;/h1-4,7-8H,6,13H2;1H/q+1;/p-1