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

Systemtic Name: 3-[2-(4-methylphenyl)sulfanylethyl]-2H-1,2,3-oxadiazol-3-ium-5-one Openeye Name: 3-[2-(p-tolylsulfanyl)ethyl]-2H-oxadiazol-3-ium-5-one CAS Name: 3-[2-[(4-methylphenyl)thio]ethyl]-2H-oxadiazol-3-ium-5-one IUPAC Name: 3-[2-(4-methylphenyl)sulfanylethyl]-2H-oxadiazol-3-ium-5-one Traditional Name: 3-[2-(p-tolylthio)ethyl]-2H-oxadiazol-3-ium-5-one Formula: C11H13N2O2S+ MolecularWeight: 237.29812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N2O2S/c1-9-2-4-10(5-3-9)16-7-6-13-8-11(14)15-12-13/h2-5,8H,6-7H2,1H3/p+1