3-methyl-2-(phenylmethylsulfanyl)-1,3-benzothiazol-3-ium bromide

Systemtic Name: 3-methyl-2-(phenylmethylsulfanyl)-1,3-benzothiazol-3-ium bromide Openeye Name: 2-benzylsulfanyl-3-methyl-1,3-benzothiazol-3-ium bromide CAS Name: 3-methyl-2-(phenylmethylthio)-1,3-benzothiazol-3-ium bromide IUPAC Name: 2-benzylsulfanyl-3-methyl-1,3-benzothiazol-3-ium bromide Traditional Name: 2-(benzylthio)-3-methyl-1,3-benzothiazol-3-ium bromide Formula: C15H14BrNS2 MolecularWeight: 352.31236

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC2=CC=CC=C21)SCC3=CC=CC=C3.[Br-]

Isomeric SMILES

C[N+]1=C(SC2=CC=CC=C21)SCC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C15H14NS2.BrH/c1-16-13-9-5-6-10-14(13)18-15(16)17-11-12-7-3-2-4-8-12;/h2-10H,11H2,1H3;1H/q+1;/p-1