5,6-dimethyl-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-oxidanylidene-pyridazine-4-carbonitrile

Systemtic Name: 5,6-dimethyl-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-oxidanylidene-pyridazine-4-carbonitrile Openeye Name: 5,6-dimethyl-3-oxo-2-[[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]methyl]pyridazine-4-carbonitrile CAS Name: 5,6-dimethyl-2-[[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-3-oxo-4-pyridazinecarbonitrile IUPAC Name: 5,6-dimethyl-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-oxopyridazine-4-carbonitrile Traditional Name: 3-keto-5,6-dimethyl-2-[(4-tosylpiperazin-1-ium-1-yl)methyl]pyridazine-4-carbonitrile Formula: C19H24N5O3S+ MolecularWeight: 402.49056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CN3C(=O)C(=C(C(=N3)C)C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CN3C(=O)C(=C(C(=N3)C)C)C#N

InChI

InChI=1S/C19H23N5O3S/c1-14-4-6-17(7-5-14)28(26,27)23-10-8-22(9-11-23)13-24-19(25)18(12-20)15(2)16(3)21-24/h4-7H,8-11,13H2,1-3H3/p+1