5-(4-methylphenyl)sulfanyl-1-oxidanidyl-2,1,3-benzoxadiazol-1-ium

Systemtic Name: 5-(4-methylphenyl)sulfanyl-1-oxidanidyl-2,1,3-benzoxadiazol-1-ium Openeye Name: 1-oxido-5-(p-tolylsulfanyl)-2,1,3-benzoxadiazol-1-ium CAS Name: 5-[(4-methylphenyl)thio]-1-oxido-2,1,3-benzoxadiazol-1-ium IUPAC Name: 5-(4-methylphenyl)sulfanyl-1-oxido-2,1,3-benzoxadiazol-1-ium Traditional Name: 1-oxido-5-(p-tolylthio)benzofurazan-1-ium Formula: C13H10N2O2S MolecularWeight: 258.2957

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC3=NO[N+](=C3C=C2)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC3=NO[N+](=C3C=C2)[O-]

InChI

InChI=1S/C13H10N2O2S/c1-9-2-4-10(5-3-9)18-11-6-7-13-12(8-11)14-17-15(13)16/h2-8H,1H3