5-[(2-methylphenyl)sulfanylmethyl]-3-(methylsulfonylmethyl)-1,2,4-oxadiazole

Systemtic Name: 5-[(2-methylphenyl)sulfanylmethyl]-3-(methylsulfonylmethyl)-1,2,4-oxadiazole Openeye Name: 3-(methylsulfonylmethyl)-5-(o-tolylsulfanylmethyl)-1,2,4-oxadiazole CAS Name: 5-[[(2-methylphenyl)thio]methyl]-3-(methylsulfonylmethyl)-1,2,4-oxadiazole IUPAC Name: 5-[(2-methylphenyl)sulfanylmethyl]-3-(methylsulfonylmethyl)-1,2,4-oxadiazole Traditional Name: 3-(mesylmethyl)-5-[(o-tolylthio)methyl]-1,2,4-oxadiazole Formula: C12H14N2O3S2 MolecularWeight: 298.38116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC2=NC(=NO2)CS(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1SCC2=NC(=NO2)CS(=O)(=O)C

InChI

InChI=1S/C12H14N2O3S2/c1-9-5-3-4-6-10(9)18-7-12-13-11(14-17-12)8-19(2,15)16/h3-6H,7-8H2,1-2H3