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

Systemtic Name: 2-[5-(4-ethylphenyl)-1,2,3,4-tetrazol-2-yl]ethanenitrile Openeye Name: 2-[5-(4-ethylphenyl)tetrazol-2-yl]acetonitrile CAS Name: 2-[5-(4-ethylphenyl)-2-tetrazolyl]acetonitrile IUPAC Name: 2-[5-(4-ethylphenyl)tetrazol-2-yl]acetonitrile Traditional Name: 2-[5-(4-ethylphenyl)tetrazol-2-yl]acetonitrile Formula: C11H11N5 MolecularWeight: 213.23854

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NN(N=N2)CC#N

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NN(N=N2)CC#N

InChI

InChI=1S/C11H11N5/c1-2-9-3-5-10(6-4-9)11-13-15-16(14-11)8-7-12/h3-6H,2,8H2,1H3