4-bromanyl-5-methyl-1-oxidanidyl-1,2-thiazol-1-ium-3-one

Systemtic Name: 4-bromanyl-5-methyl-1-oxidanidyl-1,2-thiazol-1-ium-3-one Openeye Name: 4-bromo-5-methyl-1-oxido-isothiazol-1-ium-3-one CAS Name: 4-bromo-5-methyl-1-oxido-3-isothiazol-1-iumone IUPAC Name: 4-bromo-5-methyl-1-oxido-1,2-thiazol-1-ium-3-one Traditional Name: 4-bromo-5-methyl-1-oxido-4-isothiazolin-1-ium-3-one Formula: C4H4BrNO2S MolecularWeight: 210.04906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N[S+]1[O-])Br

Isomeric SMILES

CC1=C(C(=O)N[S+]1[O-])Br

InChI

InChI=1S/C4H4BrNO2S/c1-2-3(5)4(7)6-9(2)8/h1H3,(H,6,7)