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

Systemtic Name: 2-[3-(4-bromophenyl)-1-methyl-pyrazol-4-yl]ethanenitrile Openeye Name: 2-[3-(4-bromophenyl)-1-methyl-pyrazol-4-yl]acetonitrile CAS Name: 2-[3-(4-bromophenyl)-1-methyl-4-pyrazolyl]acetonitrile IUPAC Name: 2-[3-(4-bromophenyl)-1-methylpyrazol-4-yl]acetonitrile Traditional Name: 2-[3-(4-bromophenyl)-1-methyl-pyrazol-4-yl]acetonitrile Formula: C12H10BrN3 MolecularWeight: 276.1319

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC=C(C=C2)Br)CC#N

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=C(C=C2)Br)CC#N

InChI

InChI=1S/C12H10BrN3/c1-16-8-10(6-7-14)12(15-16)9-2-4-11(13)5-3-9/h2-5,8H,6H2,1H3