2-[(3-prop-2-enyl-1,3-benzothiazol-3-ium-2-yl)sulfanyl]ethanoic acid bromide

Systemtic Name: 2-[(3-prop-2-enyl-1,3-benzothiazol-3-ium-2-yl)sulfanyl]ethanoic acid bromide Openeye Name: 2-[(3-allyl-1,3-benzothiazol-3-ium-2-yl)sulfanyl]acetic acid bromide CAS Name: 2-[(3-prop-2-enyl-1,3-benzothiazol-3-ium-2-yl)thio]acetic acid bromide IUPAC Name: 2-[(3-prop-2-enyl-1,3-benzothiazol-3-ium-2-yl)sulfanyl]acetic acid bromide Traditional Name: 2-[(3-allyl-1,3-benzothiazol-3-ium-2-yl)thio]acetic acid bromide Formula: C12H12BrNO2S2 MolecularWeight: 346.26318

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[N+]1=C(SC2=CC=CC=C21)SCC(=O)O.[Br-]

Isomeric SMILES

C=CC[N+]1=C(SC2=CC=CC=C21)SCC(=O)O.[Br-]

InChI

InChI=1S/C12H11NO2S2.BrH/c1-2-7-13-9-5-3-4-6-10(9)17-12(13)16-8-11(14)15;/h2-6H,1,7-8H2;1H