1-(1,3-dimethylimidazol-1-ium-2-yl)sulfanyl-3-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propan-2-one

Systemtic Name: 1-(1,3-dimethylimidazol-1-ium-2-yl)sulfanyl-3-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propan-2-one Openeye Name: 1-(1,3-dimethylimidazol-1-ium-2-yl)sulfanyl-3-(1-oxidopyridin-1-ium-2-yl)sulfanyl-propan-2-one CAS Name: 1-[(1,3-dimethyl-2-imidazol-1-iumyl)thio]-3-[(1-oxido-2-pyridin-1-iumyl)thio]-2-propanone IUPAC Name: 1-(1,3-dimethylimidazol-1-ium-2-yl)sulfanyl-3-(1-oxidopyridin-1-ium-2-yl)sulfanylpropan-2-one Traditional Name: 1-[(1,3-dimethylimidazol-1-ium-2-yl)thio]-3-[(1-oxidopyridin-1-ium-2-yl)thio]acetone Formula: C13H16N3O2S2+ MolecularWeight: 310.41504

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C[N+](=C1SCC(=O)CSC2=CC=CC=[N+]2[O-])C

Isomeric SMILES

CN1C=C[N+](=C1SCC(=O)CSC2=CC=CC=[N+]2[O-])C

InChI

InChI=1S/C13H16N3O2S2/c1-14-7-8-15(2)13(14)20-10-11(17)9-19-12-5-3-4-6-16(12)18/h3-8H,9-10H2,1-2H3/q+1