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

Systemtic Name: 4-[(4-azanyl-1,2,4-triazol-4-ium-1-yl)methyl]benzenecarbonitrile bromide Openeye Name: 4-[(4-amino-1,2,4-triazol-4-ium-1-yl)methyl]benzonitrile bromide CAS Name: 4-[(4-amino-1,2,4-triazol-4-ium-1-yl)methyl]benzonitrile bromide IUPAC Name: 4-[(4-amino-1,2,4-triazol-4-ium-1-yl)methyl]benzonitrile bromide Traditional Name: 4-[(4-amino-1,2,4-triazol-4-ium-1-yl)methyl]benzonitrile bromide Formula: C10H10BrN5 MolecularWeight: 280.1239

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=[N+](C=N2)N)C#N.[Br-]

Isomeric SMILES

C1=CC(=CC=C1CN2C=[N+](C=N2)N)C#N.[Br-]

InChI

InChI=1S/C10H10N5.BrH/c11-5-9-1-3-10(4-2-9)6-15-8-14(12)7-13-15;/h1-4,7-8H,6,12H2;1H/q+1;/p-1