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

Systemtic Name: 4-[(4-azanyl-1,2,4-triazol-4-ium-1-yl)methyl]benzenecarbonitrile Openeye Name: 4-[(4-amino-1,2,4-triazol-4-ium-1-yl)methyl]benzonitrile CAS Name: 4-[(4-amino-1,2,4-triazol-4-ium-1-yl)methyl]benzonitrile IUPAC Name: 4-[(4-amino-1,2,4-triazol-4-ium-1-yl)methyl]benzonitrile Traditional Name: 4-[(4-amino-1,2,4-triazol-4-ium-1-yl)methyl]benzonitrile Formula: C10H10N5+ MolecularWeight: 200.2199

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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