2-[3,5-di(pyrazin-2-yl)-1,2,4-triazol-1-yl]ethanenitrile

Systemtic Name: 2-[3,5-di(pyrazin-2-yl)-1,2,4-triazol-1-yl]ethanenitrile Openeye Name: 2-[3,5-di(pyrazin-2-yl)-1,2,4-triazol-1-yl]acetonitrile CAS Name: 2-[3,5-bis(2-pyrazinyl)-1,2,4-triazol-1-yl]acetonitrile IUPAC Name: 2-[3,5-di(pyrazin-2-yl)-1,2,4-triazol-1-yl]acetonitrile Traditional Name: 2-[3,5-di(pyrazin-2-yl)-1,2,4-triazol-1-yl]acetonitrile Formula: C12H8N8 MolecularWeight: 264.24552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(C=N1)C2=NN(C(=N2)C3=NC=CN=C3)CC#N

Isomeric SMILES

C1=CN=C(C=N1)C2=NN(C(=N2)C3=NC=CN=C3)CC#N

InChI

InChI=1S/C12H8N8/c13-1-6-20-12(10-8-15-3-5-17-10)18-11(19-20)9-7-14-2-4-16-9/h2-5,7-8H,6H2