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

Systemtic Name: 2-[3-(2-phenylmethoxyethyl)-1H-1,2,4-triazol-5-yl]ethanenitrile Openeye Name: 2-[3-(2-benzyloxyethyl)-1H-1,2,4-triazol-5-yl]acetonitrile CAS Name: 2-[3-(2-phenylmethoxyethyl)-1H-1,2,4-triazol-5-yl]acetonitrile IUPAC Name: 2-[3-(2-phenylmethoxyethyl)-1H-1,2,4-triazol-5-yl]acetonitrile Traditional Name: 2-[3-(2-benzoxyethyl)-1H-1,2,4-triazol-5-yl]acetonitrile Formula: C13H14N4O MolecularWeight: 242.27646

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCCC2=NNC(=N2)CC#N

Isomeric SMILES

C1=CC=C(C=C1)COCCC2=NNC(=N2)CC#N

InChI

InChI=1S/C13H14N4O/c14-8-6-12-15-13(17-16-12)7-9-18-10-11-4-2-1-3-5-11/h1-5H,6-7,9-10H2,(H,15,16,17)