3-ethyl-2-methylsulfanyl-1,3-benzothiazol-3-ium bromide

Systemtic Name: 3-ethyl-2-methylsulfanyl-1,3-benzothiazol-3-ium bromide Openeye Name: 3-ethyl-2-methylsulfanyl-1,3-benzothiazol-3-ium bromide CAS Name: 3-ethyl-2-(methylthio)-1,3-benzothiazol-3-ium bromide IUPAC Name: 3-ethyl-2-methylsulfanyl-1,3-benzothiazol-3-ium bromide Traditional Name: 3-ethyl-2-(methylthio)-1,3-benzothiazol-3-ium bromide Formula: C10H12BrNS2 MolecularWeight: 290.24298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12NS2.BrH/c1-3-11-8-6-4-5-7-9(8)13-10(11)12-2;/h4-7H,3H2,1-2H3;1H/q+1;/p-1