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

Systemtic Name: 1-(1,3-dimethylimidazol-1-ium-2-yl)-3-(1-methylimidazol-2-yl)sulfanyl-propan-2-one Openeye Name: 1-(1,3-dimethylimidazol-1-ium-2-yl)-3-(1-methylimidazol-2-yl)sulfanyl-propan-2-one CAS Name: 1-(1,3-dimethyl-2-imidazol-1-iumyl)-3-[(1-methyl-2-imidazolyl)thio]-2-propanone IUPAC Name: 1-(1,3-dimethylimidazol-1-ium-2-yl)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-one Traditional Name: 1-(1,3-dimethylimidazol-1-ium-2-yl)-3-[(1-methylimidazol-2-yl)thio]acetone Formula: C12H17N4OS+ MolecularWeight: 265.35458

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C[N+](=C1CC(=O)CSC2=NC=CN2C)C

Isomeric SMILES

CN1C=C[N+](=C1CC(=O)CSC2=NC=CN2C)C

InChI

InChI=1S/C12H17N4OS/c1-14-6-7-15(2)11(14)8-10(17)9-18-12-13-4-5-16(12)3/h4-7H,8-9H2,1-3H3/q+1