4-(3-azido-1-imidazol-1-yl-propyl)benzenecarbonitrile

Systemtic Name: 4-(3-azido-1-imidazol-1-yl-propyl)benzenecarbonitrile Openeye Name: 4-(3-azido-1-imidazol-1-yl-propyl)benzonitrile CAS Name: 4-[3-azido-1-(1-imidazolyl)propyl]benzonitrile IUPAC Name: 4-(3-azido-1-imidazol-1-ylpropyl)benzonitrile Traditional Name: 4-(3-azido-1-imidazol-1-yl-propyl)benzonitrile Formula: C13H12N6 MolecularWeight: 252.27458

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C(CCN=[N+]=[N-])N2C=CN=C2

Isomeric SMILES

C1=CC(=CC=C1C#N)C(CCN=[N+]=[N-])N2C=CN=C2

InChI

InChI=1S/C13H12N6/c14-9-11-1-3-12(4-2-11)13(5-6-17-18-15)19-8-7-16-10-19/h1-4,7-8,10,13H,5-6H2