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

Systemtic Name: 4,6-dimethyl-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]-4,6-dimethyl-2-thioxo-pyridine-3-carbonitrile CAS Name: 1-[[4-(benzenesulfonyl)-1-piperazin-1-iumyl]methyl]-4,6-dimethyl-2-sulfanylidene-3-pyridinecarbonitrile IUPAC Name: 1-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-4,6-dimethyl-2-sulfanylidenepyridine-3-carbonitrile Traditional Name: 1-[(4-besylpiperazin-1-ium-1-yl)methyl]-4,6-dimethyl-2-thioxo-nicotinonitrile Formula: C19H23N4O2S2+ MolecularWeight: 403.54152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=S)N1C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C#N)C

Isomeric SMILES

CC1=CC(=C(C(=S)N1C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C#N)C

InChI

InChI=1S/C19H22N4O2S2/c1-15-12-16(2)23(19(26)18(15)13-20)14-21-8-10-22(11-9-21)27(24,25)17-6-4-3-5-7-17/h3-7,12H,8-11,14H2,1-2H3/p+1