1-[(2,4-dimethyl-1H-1,2,3-triazol-1-ium-3-yl)sulfanyl]propan-2-one; methanesulfonate

Systemtic Name: 1-[(2,4-dimethyl-1H-1,2,3-triazol-1-ium-3-yl)sulfanyl]propan-2-one; methanesulfonate Openeye Name: 1-[(2,4-dimethyl-1H-triazol-1-ium-3-yl)sulfanyl]propan-2-one; methanesulfonate CAS Name: 1-[(2,4-dimethyl-1H-triazol-1-ium-3-yl)thio]-2-propanone; methanesulfonate IUPAC Name: 1-[(2,4-dimethyl-1H-triazol-1-ium-3-yl)sulfanyl]propan-2-one; methanesulfonate Traditional Name: 1-[(2,4-dimethyl-1H-triazol-1-ium-3-yl)thio]acetone mesylate Formula: C8H17N3O4S2 MolecularWeight: 283.36828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[NH2+]N(N1SCC(=O)C)C.CS(=O)(=O)[O-]

Isomeric SMILES

CC1=C[NH2+]N(N1SCC(=O)C)C.CS(=O)(=O)[O-]

InChI

InChI=1S/C7H13N3OS.CH4O3S/c1-6-4-8-9(3)10(6)12-5-7(2)11;1-5(2,3)4/h4,8H,5H2,1-3H3;1H3,(H,2,3,4)