3-azanylidene-2-(benzotriazol-1-ylmethyl)butanenitrile

Systemtic Name: 3-azanylidene-2-(benzotriazol-1-ylmethyl)butanenitrile Openeye Name: 2-(benzotriazol-1-ylmethyl)-3-imino-butanenitrile CAS Name: 2-(1-benzotriazolylmethyl)-3-iminobutanenitrile IUPAC Name: 2-(benzotriazol-1-ylmethyl)-3-iminobutanenitrile Traditional Name: 2-(benzotriazol-1-ylmethyl)-3-imino-butyronitrile Formula: C11H11N5 MolecularWeight: 213.23854

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(CN1C2=CC=CC=C2N=N1)C#N

Isomeric SMILES

CC(=N)C(CN1C2=CC=CC=C2N=N1)C#N

InChI

InChI=1S/C11H11N5/c1-8(13)9(6-12)7-16-11-5-3-2-4-10(11)14-15-16/h2-5,9,13H,7H2,1H3