4,5,6-trimethyl-1-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]-2-sulfanylidene-pyridine-3-carbonitrile

Systemtic Name: 4,5,6-trimethyl-1-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]-2-sulfanylidene-pyridine-3-carbonitrile Openeye Name: 1-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-4,5,6-trimethyl-2-thioxo-pyridine-3-carbonitrile CAS Name: 1-[[4-(benzenesulfonyl)-1-piperazin-1-iumyl]methyl]-4,5,6-trimethyl-2-sulfanylidene-3-pyridinecarbonitrile IUPAC Name: 1-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-4,5,6-trimethyl-2-sulfanylidenepyridine-3-carbonitrile Traditional Name: 1-[(4-besylpiperazin-1-ium-1-yl)methyl]-4,5,6-trimethyl-2-thioxo-nicotinonitrile Formula: C20H25N4O2S2+ MolecularWeight: 417.5681

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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