3-methyl-2-methylsulfanyl-1,3-benzothiazol-3-ium

Systemtic Name: 3-methyl-2-methylsulfanyl-1,3-benzothiazol-3-ium Openeye Name: 3-methyl-2-methylsulfanyl-1,3-benzothiazol-3-ium CAS Name: 3-methyl-2-(methylthio)-1,3-benzothiazol-3-ium IUPAC Name: 3-methyl-2-methylsulfanyl-1,3-benzothiazol-3-ium Traditional Name: 3-methyl-2-(methylthio)-1,3-benzothiazol-3-ium Formula: C9H10NS2+ MolecularWeight: 196.3124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10NS2/c1-10-7-5-3-4-6-8(7)12-9(10)11-2/h3-6H,1-2H3/q+1