1-[(4-bromanyl-2-methyl-5-oxidanylidene-1-phenyl-pyrazol-3-yl)methyl]imidazole-4,5-dicarbonitrile

Systemtic Name: 1-[(4-bromanyl-2-methyl-5-oxidanylidene-1-phenyl-pyrazol-3-yl)methyl]imidazole-4,5-dicarbonitrile Openeye Name: 1-[(4-bromo-2-methyl-5-oxo-1-phenyl-pyrazol-3-yl)methyl]imidazole-4,5-dicarbonitrile CAS Name: 1-[(4-bromo-2-methyl-5-oxo-1-phenyl-3-pyrazolyl)methyl]imidazole-4,5-dicarbonitrile IUPAC Name: 1-[(4-bromo-2-methyl-5-oxo-1-phenylpyrazol-3-yl)methyl]imidazole-4,5-dicarbonitrile Traditional Name: 1-[(4-bromo-5-keto-2-methyl-1-phenyl-3-pyrazolin-3-yl)methyl]imidazole-4,5-dicarbonitrile Formula: C16H11BrN6O MolecularWeight: 383.20214

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N1C2=CC=CC=C2)Br)CN3C=NC(=C3C#N)C#N

Isomeric SMILES

CN1C(=C(C(=O)N1C2=CC=CC=C2)Br)CN3C=NC(=C3C#N)C#N

InChI

InChI=1S/C16H11BrN6O/c1-21-14(9-22-10-20-12(7-18)13(22)8-19)15(17)16(24)23(21)11-5-3-2-4-6-11/h2-6,10H,9H2,1H3