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

Systemtic Name: 2-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]ethanenitrile Openeye Name: 2-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]acetonitrile CAS Name: 2-[3-(4-bromophenyl)-1-phenyl-4-pyrazolyl]acetonitrile IUPAC Name: 2-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]acetonitrile Traditional Name: 2-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]acetonitrile Formula: C17H12BrN3 MolecularWeight: 338.20128

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Br)CC#N

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Br)CC#N

InChI

InChI=1S/C17H12BrN3/c18-15-8-6-13(7-9-15)17-14(10-11-19)12-21(20-17)16-4-2-1-3-5-16/h1-9,12H,10H2