2-ethanimidoyl-3-oxidanylidene-4-(5-phenyl-1,2,3,4-tetrazol-2-yl)butanenitrile

Systemtic Name: 2-ethanimidoyl-3-oxidanylidene-4-(5-phenyl-1,2,3,4-tetrazol-2-yl)butanenitrile Openeye Name: 2-ethanimidoyl-3-oxo-4-(5-phenyltetrazol-2-yl)butanenitrile CAS Name: 2-(1-iminoethyl)-3-oxo-4-(5-phenyl-2-tetrazolyl)butanenitrile IUPAC Name: 2-ethanimidoyl-3-oxo-4-(5-phenyltetrazol-2-yl)butanenitrile Traditional Name: 2-acetimidoyl-3-keto-4-(5-phenyltetrazol-2-yl)butyronitrile Formula: C13H12N6O MolecularWeight: 268.27398

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CN1N=C(N=N1)C2=CC=CC=C2

Isomeric SMILES

CC(=N)C(C#N)C(=O)CN1N=C(N=N1)C2=CC=CC=C2

InChI

InChI=1S/C13H12N6O/c1-9(15)11(7-14)12(20)8-19-17-13(16-18-19)10-5-3-2-4-6-10/h2-6,11,15H,8H2,1H3