2-[3-(5-pyridin-2-yl-1,2,3,4-tetrazol-2-yl)phenoxy]ethanenitrile

Systemtic Name: 2-[3-(5-pyridin-2-yl-1,2,3,4-tetrazol-2-yl)phenoxy]ethanenitrile Openeye Name: 2-[3-[5-(2-pyridyl)tetrazol-2-yl]phenoxy]acetonitrile CAS Name: 2-[3-[5-(2-pyridinyl)-2-tetrazolyl]phenoxy]acetonitrile IUPAC Name: 2-[3-(5-pyridin-2-yltetrazol-2-yl)phenoxy]acetonitrile Traditional Name: 2-[3-[5-(2-pyridyl)tetrazol-2-yl]phenoxy]acetonitrile Formula: C14H10N6O MolecularWeight: 278.2688

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C2=NN(N=N2)C3=CC(=CC=C3)OCC#N

Isomeric SMILES

C1=CC=NC(=C1)C2=NN(N=N2)C3=CC(=CC=C3)OCC#N

InChI

InChI=1S/C14H10N6O/c15-7-9-21-12-5-3-4-11(10-12)20-18-14(17-19-20)13-6-1-2-8-16-13/h1-6,8,10H,9H2