4-methyl-3-[2-(2,4,6-trimethylphenyl)sulfanylethyl]-2H-1,2,3-oxadiazol-3-ium-5-one

Systemtic Name: 4-methyl-3-[2-(2,4,6-trimethylphenyl)sulfanylethyl]-2H-1,2,3-oxadiazol-3-ium-5-one Openeye Name: 4-methyl-3-[2-(2,4,6-trimethylphenyl)sulfanylethyl]-2H-oxadiazol-3-ium-5-one CAS Name: 4-methyl-3-[2-[(2,4,6-trimethylphenyl)thio]ethyl]-2H-oxadiazol-3-ium-5-one IUPAC Name: 4-methyl-3-[2-(2,4,6-trimethylphenyl)sulfanylethyl]-2H-oxadiazol-3-ium-5-one Traditional Name: 3-[2-(mesitylthio)ethyl]-4-methyl-2H-oxadiazol-3-ium-5-one Formula: C14H19N2O2S+ MolecularWeight: 279.37786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)SCC[N+]2=C(C(=O)ON2)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)SCC[N+]2=C(C(=O)ON2)C)C

InChI

InChI=1S/C14H18N2O2S/c1-9-7-10(2)13(11(3)8-9)19-6-5-16-12(4)14(17)18-15-16/h7-8H,5-6H2,1-4H3/p+1