4,6-dimethyl-1-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-2-sulfanylidene-pyridine-3-carbonitrile

Systemtic Name: 4,6-dimethyl-1-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-2-sulfanylidene-pyridine-3-carbonitrile Openeye Name: 4,6-dimethyl-1-[[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]methyl]-2-thioxo-pyridine-3-carbonitrile CAS Name: 4,6-dimethyl-1-[[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-2-sulfanylidene-3-pyridinecarbonitrile IUPAC Name: 4,6-dimethyl-1-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-2-sulfanylidenepyridine-3-carbonitrile Traditional Name: 4,6-dimethyl-2-thioxo-1-[(4-tosylpiperazin-1-ium-1-yl)methyl]nicotinonitrile Formula: C20H25N4O2S2+ MolecularWeight: 417.5681

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CN3C(=CC(=C(C3=S)C#N)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CN3C(=CC(=C(C3=S)C#N)C)C

InChI

InChI=1S/C20H24N4O2S2/c1-15-4-6-18(7-5-15)28(25,26)23-10-8-22(9-11-23)14-24-17(3)12-16(2)19(13-21)20(24)27/h4-7,12H,8-11,14H2,1-3H3/p+1