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

Systemtic Name: 3-[2-(4-methylphenyl)sulfanylethyl]-1,2,3-oxadiazol-3-ium-5-olate Openeye Name: 3-[2-(p-tolylsulfanyl)ethyl]oxadiazol-3-ium-5-olate CAS Name: 3-[2-[(4-methylphenyl)thio]ethyl]-5-oxadiazol-3-iumolate IUPAC Name: 3-[2-(4-methylphenyl)sulfanylethyl]oxadiazol-3-ium-5-olate Traditional Name: 3-[2-(p-tolylthio)ethyl]oxadiazol-3-ium-5-olate Formula: C11H12N2O2S MolecularWeight: 236.29018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC[N+]2=NOC(=C2)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SCC[N+]2=NOC(=C2)[O-]

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