(1E)-2-[4-cyano-1-(4-methylphenyl)-5-phenyl-pyrazol-3-yl]-2-oxidanylidene-N-phenyl-ethanehydrazonoyl bromide

Systemtic Name: (1E)-2-[4-cyano-1-(4-methylphenyl)-5-phenyl-pyrazol-3-yl]-2-oxidanylidene-N-phenyl-ethanehydrazonoyl bromide Openeye Name: (1E)-2-[4-cyano-5-phenyl-1-(p-tolyl)pyrazol-3-yl]-2-oxo-N-phenyl-ethanehydrazonoyl bromide CAS Name: (1E)-2-[4-cyano-1-(4-methylphenyl)-5-phenyl-3-pyrazolyl]-2-oxo-N-phenylethanehydrazonoyl bromide IUPAC Name: (1E)-2-[4-cyano-1-(4-methylphenyl)-5-phenylpyrazol-3-yl]-2-oxo-N-phenylethanehydrazonoyl bromide Traditional Name: (1E)-2-[4-cyano-5-phenyl-1-(p-tolyl)pyrazol-3-yl]-2-keto-N-phenyl-acetohydrazonoyl bromide Formula: C25H18BrN5O MolecularWeight: 484.34732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C(=N2)C(=O)C(=NNC3=CC=CC=C3)Br)C#N)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C(=N2)C(=O)/C(=N\NC3=CC=CC=C3)/Br)C#N)C4=CC=CC=C4

InChI

InChI=1S/C25H18BrN5O/c1-17-12-14-20(15-13-17)31-23(18-8-4-2-5-9-18)21(16-27)22(30-31)24(32)25(26)29-28-19-10-6-3-7-11-19/h2-15,28H,1H3/b29-25+