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

Systemtic Name: 2-[5-(4-bromophenyl)-1,2,3,4-tetrazol-2-yl]ethanenitrile Openeye Name: 2-[5-(4-bromophenyl)tetrazol-2-yl]acetonitrile CAS Name: 2-[5-(4-bromophenyl)-2-tetrazolyl]acetonitrile IUPAC Name: 2-[5-(4-bromophenyl)tetrazol-2-yl]acetonitrile Traditional Name: 2-[5-(4-bromophenyl)tetrazol-2-yl]acetonitrile Formula: C9H6BrN5 MolecularWeight: 264.08144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN(N=N2)CC#N)Br

Isomeric SMILES

C1=CC(=CC=C1C2=NN(N=N2)CC#N)Br

InChI

InChI=1S/C9H6BrN5/c10-8-3-1-7(2-4-8)9-12-14-15(13-9)6-5-11/h1-4H,6H2