3-[(4-bromanyl-2-methyl-5-oxidanylidene-1-phenyl-pyrazol-3-yl)methyl]-5-(4-methoxyphenyl)-1,2,3-triazole-4-carbonitrile

Systemtic Name: 3-[(4-bromanyl-2-methyl-5-oxidanylidene-1-phenyl-pyrazol-3-yl)methyl]-5-(4-methoxyphenyl)-1,2,3-triazole-4-carbonitrile Openeye Name: 3-[(4-bromo-2-methyl-5-oxo-1-phenyl-pyrazol-3-yl)methyl]-5-(4-methoxyphenyl)triazole-4-carbonitrile CAS Name: 3-[(4-bromo-2-methyl-5-oxo-1-phenyl-3-pyrazolyl)methyl]-5-(4-methoxyphenyl)-4-triazolecarbonitrile IUPAC Name: 3-[(4-bromo-2-methyl-5-oxo-1-phenylpyrazol-3-yl)methyl]-5-(4-methoxyphenyl)triazole-4-carbonitrile Traditional Name: 3-[(4-bromo-5-keto-2-methyl-1-phenyl-3-pyrazolin-3-yl)methyl]-5-(4-methoxyphenyl)triazole-4-carbonitrile Formula: C21H17BrN6O2 MolecularWeight: 465.30268

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N1C2=CC=CC=C2)Br)CN3C(=C(N=N3)C4=CC=C(C=C4)OC)C#N

Isomeric SMILES

CN1C(=C(C(=O)N1C2=CC=CC=C2)Br)CN3C(=C(N=N3)C4=CC=C(C=C4)OC)C#N

InChI

InChI=1S/C21H17BrN6O2/c1-26-18(19(22)21(29)28(26)15-6-4-3-5-7-15)13-27-17(12-23)20(24-25-27)14-8-10-16(30-2)11-9-14/h3-11H,13H2,1-2H3