3-[(E)-2-[5-chloranyl-1-(2,5-dimethylphenyl)-3-methyl-pyrazol-4-yl]ethenyl]-4-methyl-6-oxidanylidene-1H-pyridazine-5-carbonitrile

Systemtic Name: 3-[(E)-2-[5-chloranyl-1-(2,5-dimethylphenyl)-3-methyl-pyrazol-4-yl]ethenyl]-4-methyl-6-oxidanylidene-1H-pyridazine-5-carbonitrile Openeye Name: 3-[(E)-2-[5-chloro-1-(2,5-dimethylphenyl)-3-methyl-pyrazol-4-yl]vinyl]-4-methyl-6-oxo-1H-pyridazine-5-carbonitrile CAS Name: 3-[(E)-2-[5-chloro-1-(2,5-dimethylphenyl)-3-methyl-4-pyrazolyl]ethenyl]-4-methyl-6-oxo-1H-pyridazine-5-carbonitrile IUPAC Name: 3-[(E)-2-[5-chloro-1-(2,5-dimethylphenyl)-3-methylpyrazol-4-yl]ethenyl]-4-methyl-6-oxo-1H-pyridazine-5-carbonitrile Traditional Name: 3-[(E)-2-[5-chloro-1-(2,5-dimethylphenyl)-3-methyl-pyrazol-4-yl]vinyl]-6-keto-4-methyl-1H-pyridazine-5-carbonitrile Formula: C20H18ClN5O MolecularWeight: 379.84282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=C(C(=N2)C)C=CC3=NNC(=O)C(=C3C)C#N)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=C(C(=N2)C)/C=C/C3=NNC(=O)C(=C3C)C#N)Cl

InChI

InChI=1S/C20H18ClN5O/c1-11-5-6-12(2)18(9-11)26-19(21)15(14(4)25-26)7-8-17-13(3)16(10-22)20(27)24-23-17/h5-9H,1-4H3,(H,24,27)/b8-7+