2-[4-[(3-methyl-2-sulfanylidene-imidazol-1-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[(3-methyl-2-sulfanylidene-imidazol-1-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[(3-methyl-2-thioxo-imidazol-1-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(3-methyl-2-sulfanylidene-1-imidazolyl)methyl]-1-piperazin-4-iumyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[(3-methyl-2-sulfanylideneimidazol-1-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[(3-methyl-2-thioxo-4-imidazolin-1-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Formula: C16H20N5O2S2+ MolecularWeight: 378.4923

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN(C1=S)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

CN1C=CN(C1=S)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C16H19N5O2S2/c1-18-6-9-20(16(18)24)13-19-7-10-21(11-8-19)25(22,23)15-5-3-2-4-14(15)12-17/h2-6,9H,7-8,10-11,13H2,1H3/p+1