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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C=CC=CC2=C(S1)SC

Isomeric SMILES

C[N+]1=C2C=CC=CC2=C(S1)SC

InChI

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