1-[(3,5-dimethyl-1,2,3-triazol-3-ium-1-yl)sulfanyl]propan-2-one; methanesulfonate

Systemtic Name: 1-[(3,5-dimethyl-1,2,3-triazol-3-ium-1-yl)sulfanyl]propan-2-one; methanesulfonate Openeye Name: 1-(3,5-dimethyltriazol-3-ium-1-yl)sulfanylpropan-2-one; methanesulfonate CAS Name: 1-[(3,5-dimethyl-1-triazol-3-iumyl)thio]-2-propanone; methanesulfonate IUPAC Name: 1-(3,5-dimethyltriazol-3-ium-1-yl)sulfanylpropan-2-one; methanesulfonate Traditional Name: 1-[(3,5-dimethyltriazol-3-ium-1-yl)thio]acetone mesylate Formula: C8H15N3O4S2 MolecularWeight: 281.3524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=NN1SCC(=O)C)C.CS(=O)(=O)[O-]

Isomeric SMILES

CC1=C[N+](=NN1SCC(=O)C)C.CS(=O)(=O)[O-]

InChI

InChI=1S/C7H12N3OS.CH4O3S/c1-6-4-9(3)8-10(6)12-5-7(2)11;1-5(2,3)4/h4H,5H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1