4-[5-[5-(bromomethyl)-2-phenyl-phenyl]-1,2,3,4-tetrazol-1-yl]benzenecarbonitrile

Systemtic Name: 4-[5-[5-(bromomethyl)-2-phenyl-phenyl]-1,2,3,4-tetrazol-1-yl]benzenecarbonitrile Openeye Name: 4-[5-[5-(bromomethyl)-2-phenyl-phenyl]tetrazol-1-yl]benzonitrile CAS Name: 4-[5-[5-(bromomethyl)-2-phenylphenyl]-1-tetrazolyl]benzonitrile IUPAC Name: 4-[5-[5-(bromomethyl)-2-phenylphenyl]tetrazol-1-yl]benzonitrile Traditional Name: 4-[5-[5-(bromomethyl)-2-phenyl-phenyl]tetrazol-1-yl]benzonitrile Formula: C21H14BrN5 MolecularWeight: 416.27336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C=C(C=C2)CBr)C3=NN=NN3C4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=C(C=C2)CBr)C3=NN=NN3C4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H14BrN5/c22-13-16-8-11-19(17-4-2-1-3-5-17)20(12-16)21-24-25-26-27(21)18-9-6-15(14-23)7-10-18/h1-12H,13H2