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

Systemtic Name: 4,6-dimethyl-1-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]-2-sulfanylidene-pyridine-3-carbonitrile Openeye Name: 4,6-dimethyl-1-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]-2-thioxo-pyridine-3-carbonitrile CAS Name: 4,6-dimethyl-1-[(4-methylsulfonyl-1-piperazin-1-iumyl)methyl]-2-sulfanylidene-3-pyridinecarbonitrile IUPAC Name: 4,6-dimethyl-1-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]-2-sulfanylidenepyridine-3-carbonitrile Traditional Name: 1-[(4-mesylpiperazin-1-ium-1-yl)methyl]-4,6-dimethyl-2-thioxo-nicotinonitrile Formula: C14H21N4O2S2+ MolecularWeight: 341.47214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N4O2S2/c1-11-8-12(2)18(14(21)13(11)9-15)10-16-4-6-17(7-5-16)22(3,19)20/h8H,4-7,10H2,1-3H3/p+1