2-[4-(4-bromanylpyrazol-1-yl)phenyl]ethanenitrile

Systemtic Name: 2-[4-(4-bromanylpyrazol-1-yl)phenyl]ethanenitrile Openeye Name: 2-[4-(4-bromopyrazol-1-yl)phenyl]acetonitrile CAS Name: 2-[4-(4-bromo-1-pyrazolyl)phenyl]acetonitrile IUPAC Name: 2-[4-(4-bromopyrazol-1-yl)phenyl]acetonitrile Traditional Name: 2-[4-(4-bromopyrazol-1-yl)phenyl]acetonitrile Formula: C11H8BrN3 MolecularWeight: 262.10532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC#N)N2C=C(C=N2)Br

Isomeric SMILES

C1=CC(=CC=C1CC#N)N2C=C(C=N2)Br

InChI

InChI=1S/C11H8BrN3/c12-10-7-14-15(8-10)11-3-1-9(2-4-11)5-6-13/h1-4,7-8H,5H2