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

Systemtic Name: 2-[3-(4-bromophenyl)-4-methyl-1H-pyrazol-5-yl]ethanenitrile Openeye Name: 2-[3-(4-bromophenyl)-4-methyl-1H-pyrazol-5-yl]acetonitrile CAS Name: 2-[3-(4-bromophenyl)-4-methyl-1H-pyrazol-5-yl]acetonitrile IUPAC Name: 2-[3-(4-bromophenyl)-4-methyl-1H-pyrazol-5-yl]acetonitrile Traditional Name: 2-[3-(4-bromophenyl)-4-methyl-1H-pyrazol-5-yl]acetonitrile Formula: C12H10BrN3 MolecularWeight: 276.1319

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NN=C1C2=CC=C(C=C2)Br)CC#N

Isomeric SMILES

CC1=C(NN=C1C2=CC=C(C=C2)Br)CC#N

InChI

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