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

Systemtic Name: 3-[2-bromanyl-2-(1,2,4-triazol-1-yl)ethanoyl]benzenecarbonitrile Openeye Name: 3-[2-bromo-2-(1,2,4-triazol-1-yl)acetyl]benzonitrile CAS Name: 3-[2-bromo-1-oxo-2-(1,2,4-triazol-1-yl)ethyl]benzonitrile IUPAC Name: 3-[2-bromo-2-(1,2,4-triazol-1-yl)acetyl]benzonitrile Traditional Name: 3-[2-bromo-2-(1,2,4-triazol-1-yl)acetyl]benzonitrile Formula: C11H7BrN4O MolecularWeight: 291.10348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)C(N2C=NC=N2)Br)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)C(N2C=NC=N2)Br)C#N

InChI

InChI=1S/C11H7BrN4O/c12-11(16-7-14-6-15-16)10(17)9-3-1-2-8(4-9)5-13/h1-4,6-7,11H