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

Systemtic Name: 5,6-dimethyl-3-oxidanylidene-2-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]pyridazine-4-carbonitrile Openeye Name: 5,6-dimethyl-3-oxo-2-[[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]methyl]pyridazine-4-carbonitrile CAS Name: 5,6-dimethyl-3-oxo-2-[[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]methyl]-4-pyridazinecarbonitrile IUPAC Name: 5,6-dimethyl-3-oxo-2-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]pyridazine-4-carbonitrile Traditional Name: 3-keto-5,6-dimethyl-2-[[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]methyl]pyridazine-4-carbonitrile Formula: C20H24N5O3S+ MolecularWeight: 414.50126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N=C1C)C[NH+]2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3)C#N

Isomeric SMILES

CC1=C(C(=O)N(N=C1C)C[NH+]2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3)C#N

InChI

InChI=1S/C20H23N5O3S/c1-16-17(2)22-25(20(26)19(16)14-21)15-23-9-11-24(12-10-23)29(27,28)13-8-18-6-4-3-5-7-18/h3-8,13H,9-12,15H2,1-2H3/p+1/b13-8+