2-[3-(4-bromophenyl)-1H-pyrazol-5-yl]ethanenitrile

Systemtic Name: 2-[3-(4-bromophenyl)-1H-pyrazol-5-yl]ethanenitrile Openeye Name: 2-[3-(4-bromophenyl)-1H-pyrazol-5-yl]acetonitrile CAS Name: 2-[3-(4-bromophenyl)-1H-pyrazol-5-yl]acetonitrile IUPAC Name: 2-[3-(4-bromophenyl)-1H-pyrazol-5-yl]acetonitrile Traditional Name: 2-[3-(4-bromophenyl)-1H-pyrazol-5-yl]acetonitrile Formula: C11H8BrN3 MolecularWeight: 262.10532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NNC(=C2)CC#N)Br

Isomeric SMILES

C1=CC(=CC=C1C2=NNC(=C2)CC#N)Br

InChI

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