2-[(1-oxidanidyl-2,1,3-benzoxadiazol-1-ium-5-yl)methylsulfanyl]ethanol

Systemtic Name: 2-[(1-oxidanidyl-2,1,3-benzoxadiazol-1-ium-5-yl)methylsulfanyl]ethanol Openeye Name: 2-[(1-oxido-2,1,3-benzoxadiazol-1-ium-5-yl)methylsulfanyl]ethanol CAS Name: 2-[(1-oxido-2,1,3-benzoxadiazol-1-ium-5-yl)methylthio]ethanol IUPAC Name: 2-[(1-oxido-2,1,3-benzoxadiazol-1-ium-5-yl)methylsulfanyl]ethanol Traditional Name: 2-[(1-oxidobenzofurazan-1-ium-5-yl)methylthio]ethanol Formula: C9H10N2O3S MolecularWeight: 226.2523

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=[N+](ON=C2C=C1CSCCO)[O-]

Isomeric SMILES

C1=CC2=[N+](ON=C2C=C1CSCCO)[O-]

InChI

InChI=1S/C9H10N2O3S/c12-3-4-15-6-7-1-2-9-8(5-7)10-14-11(9)13/h1-2,5,12H,3-4,6H2