4-(benzotriazol-1-yl)-3-iodanyl-benzenecarbonitrile

Systemtic Name: 4-(benzotriazol-1-yl)-3-iodanyl-benzenecarbonitrile Openeye Name: 4-(benzotriazol-1-yl)-3-iodo-benzonitrile CAS Name: 4-(1-benzotriazolyl)-3-iodobenzonitrile IUPAC Name: 4-(benzotriazol-1-yl)-3-iodobenzonitrile Traditional Name: 4-(benzotriazol-1-yl)-3-iodo-benzonitrile Formula: C13H7IN4 MolecularWeight: 346.12595

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2C3=C(C=C(C=C3)C#N)I

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2C3=C(C=C(C=C3)C#N)I

InChI

InChI=1S/C13H7IN4/c14-10-7-9(8-15)5-6-12(10)18-13-4-2-1-3-11(13)16-17-18/h1-7H