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

Systemtic Name: 4-methyl-3-[2-(4-methylphenyl)sulfanylethyl]-2H-1,2,3-oxadiazol-3-ium-5-one Openeye Name: 4-methyl-3-[2-(p-tolylsulfanyl)ethyl]-2H-oxadiazol-3-ium-5-one CAS Name: 4-methyl-3-[2-[(4-methylphenyl)thio]ethyl]-2H-oxadiazol-3-ium-5-one IUPAC Name: 4-methyl-3-[2-(4-methylphenyl)sulfanylethyl]-2H-oxadiazol-3-ium-5-one Traditional Name: 4-methyl-3-[2-(p-tolylthio)ethyl]-2H-oxadiazol-3-ium-5-one Formula: C12H15N2O2S+ MolecularWeight: 251.3247

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O2S/c1-9-3-5-11(6-4-9)17-8-7-14-10(2)12(15)16-13-14/h3-6H,7-8H2,1-2H3/p+1