4,5-dimethyl-2-(4-methylsulfanylphenyl)-3-oxidanidyl-1,3-oxazol-3-ium

Systemtic Name: 4,5-dimethyl-2-(4-methylsulfanylphenyl)-3-oxidanidyl-1,3-oxazol-3-ium Openeye Name: 4,5-dimethyl-2-(4-methylsulfanylphenyl)-3-oxido-oxazol-3-ium CAS Name: 4,5-dimethyl-2-[4-(methylthio)phenyl]-3-oxidooxazol-3-ium IUPAC Name: 4,5-dimethyl-2-(4-methylsulfanylphenyl)-3-oxido-1,3-oxazol-3-ium Traditional Name: 4,5-dimethyl-2-[4-(methylthio)phenyl]-3-oxido-oxazol-3-ium Formula: C12H13NO2S MolecularWeight: 235.30212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=[N+]1[O-])C2=CC=C(C=C2)SC)C

Isomeric SMILES

CC1=C(OC(=[N+]1[O-])C2=CC=C(C=C2)SC)C

InChI

InChI=1S/C12H13NO2S/c1-8-9(2)15-12(13(8)14)10-4-6-11(16-3)7-5-10/h4-7H,1-3H3