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

Systemtic Name: 4-[2-(4-azanyl-1,2,4-triazol-4-ium-1-yl)ethanoyl]benzenecarbonitrile Openeye Name: 4-[2-(4-amino-1,2,4-triazol-4-ium-1-yl)acetyl]benzonitrile CAS Name: 4-[2-(4-amino-1,2,4-triazol-4-ium-1-yl)-1-oxoethyl]benzonitrile IUPAC Name: 4-[2-(4-amino-1,2,4-triazol-4-ium-1-yl)acetyl]benzonitrile Traditional Name: 4-[2-(4-amino-1,2,4-triazol-4-ium-1-yl)acetyl]benzonitrile Formula: C11H10N5O+ MolecularWeight: 228.23

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10N5O/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/q+1