2-(5-phenyl-1,2,3,4-tetrazol-2-yl)pentanenitrile

Systemtic Name: 2-(5-phenyl-1,2,3,4-tetrazol-2-yl)pentanenitrile Openeye Name: 2-(5-phenyltetrazol-2-yl)pentanenitrile CAS Name: 2-(5-phenyl-2-tetrazolyl)pentanenitrile IUPAC Name: 2-(5-phenyltetrazol-2-yl)pentanenitrile Traditional Name: 2-(5-phenyltetrazol-2-yl)valeronitrile Formula: C12H13N5 MolecularWeight: 227.26512

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C#N)N1N=C(N=N1)C2=CC=CC=C2

Isomeric SMILES

CCCC(C#N)N1N=C(N=N1)C2=CC=CC=C2

InChI

InChI=1S/C12H13N5/c1-2-6-11(9-13)17-15-12(14-16-17)10-7-4-3-5-8-10/h3-5,7-8,11H,2,6H2,1H3