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

Systemtic Name: 2-[5-(phenylmethyl)-1H-1,2,4-triazol-3-yl]ethanenitrile Openeye Name: 2-(5-benzyl-1H-1,2,4-triazol-3-yl)acetonitrile CAS Name: 2-[5-(phenylmethyl)-1H-1,2,4-triazol-3-yl]acetonitrile IUPAC Name: 2-(5-benzyl-1H-1,2,4-triazol-3-yl)acetonitrile Traditional Name: 2-(5-benzyl-1H-1,2,4-triazol-3-yl)acetonitrile Formula: C11H10N4 MolecularWeight: 198.2239

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10N4/c12-7-6-10-13-11(15-14-10)8-9-4-2-1-3-5-9/h1-5H,6,8H2,(H,13,14,15)