2-(2H-benzotriazol-4-yl)ethanenitrile

Systemtic Name: 2-(2H-benzotriazol-4-yl)ethanenitrile Openeye Name: 2-(2H-benzotriazol-4-yl)acetonitrile CAS Name: 2-(2H-benzotriazol-4-yl)acetonitrile IUPAC Name: 2-(2H-benzotriazol-4-yl)acetonitrile Traditional Name: 2-(2H-benzotriazol-4-yl)acetonitrile Formula: C8H6N4 MolecularWeight: 158.16004

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NNN=C2C(=C1)CC#N

Isomeric SMILES

C1=CC2=NNN=C2C(=C1)CC#N

InChI

InChI=1S/C8H6N4/c9-5-4-6-2-1-3-7-8(6)11-12-10-7/h1-3H,4H2,(H,10,11,12)