2-(1-ethanoyl-5-phenyl-1,2,3-triazol-4-yl)ethanenitrile

Systemtic Name: 2-(1-ethanoyl-5-phenyl-1,2,3-triazol-4-yl)ethanenitrile Openeye Name: 2-(1-acetyl-5-phenyl-triazol-4-yl)acetonitrile CAS Name: 2-(1-acetyl-5-phenyl-4-triazolyl)acetonitrile IUPAC Name: 2-(1-acetyl-5-phenyltriazol-4-yl)acetonitrile Traditional Name: 2-(1-acetyl-5-phenyl-triazol-4-yl)acetonitrile Formula: C12H10N4O MolecularWeight: 226.234

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(=C(N=N1)CC#N)C2=CC=CC=C2

Isomeric SMILES

CC(=O)N1C(=C(N=N1)CC#N)C2=CC=CC=C2

InChI

InChI=1S/C12H10N4O/c1-9(17)16-12(10-5-3-2-4-6-10)11(7-8-13)14-15-16/h2-6H,7H2,1H3