2-[5-(1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]ethanenitrile

Systemtic Name: 2-[5-(1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]ethanenitrile Openeye Name: 2-[5-(1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]acetonitrile CAS Name: 2-[5-(1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]acetonitrile IUPAC Name: 2-[5-(1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]acetonitrile Traditional Name: 2-[5-(1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]acetonitrile Formula: C7H7N7 MolecularWeight: 189.17738

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Descriptors Computed from Structure

Canonical SMILES:

C1=NN(C=N1)CC2=NC(=NN2)CC#N

Isomeric SMILES

C1=NN(C=N1)CC2=NC(=NN2)CC#N

InChI

InChI=1S/C7H7N7/c8-2-1-6-11-7(13-12-6)3-14-5-9-4-10-14/h4-5H,1,3H2,(H,11,12,13)