2-prop-2-enylsulfanyl-1,3-benzothiazol-3-ium bromide

Systemtic Name: 2-prop-2-enylsulfanyl-1,3-benzothiazol-3-ium bromide Openeye Name: 2-allylsulfanyl-1,3-benzothiazol-3-ium bromide CAS Name: 2-(prop-2-enylthio)-1,3-benzothiazol-3-ium bromide IUPAC Name: 2-prop-2-enylsulfanyl-1,3-benzothiazol-3-ium bromide Traditional Name: 2-(allylthio)-1,3-benzothiazol-3-ium bromide Formula: C10H10BrNS2 MolecularWeight: 288.2271

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=[NH+]C2=CC=CC=C2S1.[Br-]

Isomeric SMILES

C=CCSC1=[NH+]C2=CC=CC=C2S1.[Br-]

InChI

InChI=1S/C10H9NS2.BrH/c1-2-7-12-10-11-8-5-3-4-6-9(8)13-10;/h2-6H,1,7H2;1H