3-[2-(1,2,4-triazol-1-yl)ethanoyl]benzenecarbonitrile

Systemtic Name: 3-[2-(1,2,4-triazol-1-yl)ethanoyl]benzenecarbonitrile Openeye Name: 3-[2-(1,2,4-triazol-1-yl)acetyl]benzonitrile CAS Name: 3-[1-oxo-2-(1,2,4-triazol-1-yl)ethyl]benzonitrile IUPAC Name: 3-[2-(1,2,4-triazol-1-yl)acetyl]benzonitrile Traditional Name: 3-[2-(1,2,4-triazol-1-yl)acetyl]benzonitrile Formula: C11H8N4O MolecularWeight: 212.20742

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)CN2C=NC=N2)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)CN2C=NC=N2)C#N

InChI

InChI=1S/C11H8N4O/c12-5-9-2-1-3-10(4-9)11(16)6-15-8-13-7-14-15/h1-4,7-8H,6H2