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

Systemtic Name: 3-[5-(4-phenylphenyl)-1,2,3,4-tetrazol-2-yl]propanenitrile Openeye Name: 3-[5-(4-phenylphenyl)tetrazol-2-yl]propanenitrile CAS Name: 3-[5-(4-phenylphenyl)-2-tetrazolyl]propanenitrile IUPAC Name: 3-[5-(4-phenylphenyl)tetrazol-2-yl]propanenitrile Traditional Name: 3-[5-(4-phenylphenyl)tetrazol-2-yl]propionitrile Formula: C16H13N5 MolecularWeight: 275.30792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NN(N=N3)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NN(N=N3)CCC#N

InChI

InChI=1S/C16H13N5/c17-11-4-12-21-19-16(18-20-21)15-9-7-14(8-10-15)13-5-2-1-3-6-13/h1-3,5-10H,4,12H2