3-[phenyl-(1-phenyl-1,2,3,4-tetrazol-5-yl)amino]propanenitrile

Systemtic Name: 3-[phenyl-(1-phenyl-1,2,3,4-tetrazol-5-yl)amino]propanenitrile Openeye Name: 3-(N-(1-phenyltetrazol-5-yl)anilino)propanenitrile CAS Name: 3-(N-(1-phenyl-5-tetrazolyl)anilino)propanenitrile IUPAC Name: 3-(N-(1-phenyltetrazol-5-yl)anilino)propanenitrile Traditional Name: 3-(N-(1-phenyltetrazol-5-yl)anilino)propionitrile Formula: C16H14N6 MolecularWeight: 290.32256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)N(CCC#N)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)N(CCC#N)C3=CC=CC=C3

InChI

InChI=1S/C16H14N6/c17-12-7-13-21(14-8-3-1-4-9-14)16-18-19-20-22(16)15-10-5-2-6-11-15/h1-6,8-11H,7,13H2