5,6-dimethyl-2-[[4-(4-methylphenyl)sulfonylphenyl]methyl]-3-oxidanylidene-pyridazine-4-carbonitrile

Systemtic Name: 5,6-dimethyl-2-[[4-(4-methylphenyl)sulfonylphenyl]methyl]-3-oxidanylidene-pyridazine-4-carbonitrile Openeye Name: 5,6-dimethyl-3-oxo-2-[[4-(p-tolylsulfonyl)phenyl]methyl]pyridazine-4-carbonitrile CAS Name: 5,6-dimethyl-2-[[4-(4-methylphenyl)sulfonylphenyl]methyl]-3-oxo-4-pyridazinecarbonitrile IUPAC Name: 5,6-dimethyl-2-[[4-(4-methylphenyl)sulfonylphenyl]methyl]-3-oxopyridazine-4-carbonitrile Traditional Name: 3-keto-5,6-dimethyl-2-(4-tosylbenzyl)pyridazine-4-carbonitrile Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)CN3C(=O)C(=C(C(=N3)C)C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)CN3C(=O)C(=C(C(=N3)C)C)C#N

InChI

InChI=1S/C21H19N3O3S/c1-14-4-8-18(9-5-14)28(26,27)19-10-6-17(7-11-19)13-24-21(25)20(12-22)15(2)16(3)23-24/h4-11H,13H2,1-3H3