2-(1-methyl-1,2,4-triazol-4-ium-4-yl)ethanenitrile

Systemtic Name: 2-(1-methyl-1,2,4-triazol-4-ium-4-yl)ethanenitrile Openeye Name: 2-(1-methyl-1,2,4-triazol-4-ium-4-yl)acetonitrile CAS Name: 2-(1-methyl-1,2,4-triazol-4-ium-4-yl)acetonitrile IUPAC Name: 2-(1-methyl-1,2,4-triazol-4-ium-4-yl)acetonitrile Traditional Name: 2-(1-methyl-1,2,4-triazol-4-ium-4-yl)acetonitrile Formula: C5H7N4+ MolecularWeight: 123.13588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=[N+](C=N1)CC#N

Isomeric SMILES

CN1C=[N+](C=N1)CC#N

InChI

InChI=1S/C5H7N4/c1-8-5-9(3-2-6)4-7-8/h4-5H,3H2,1H3/q+1