3-methyl-5,6-bis(methylsulfanyl)-1,3-benzothiazol-3-ium

Systemtic Name: 3-methyl-5,6-bis(methylsulfanyl)-1,3-benzothiazol-3-ium Openeye Name: 3-methyl-5,6-bis(methylsulfanyl)-1,3-benzothiazol-3-ium CAS Name: 3-methyl-5,6-bis(methylthio)-1,3-benzothiazol-3-ium IUPAC Name: 3-methyl-5,6-bis(methylsulfanyl)-1,3-benzothiazol-3-ium Traditional Name: 3-methyl-5,6-bis(methylthio)-1,3-benzothiazol-3-ium Formula: C10H12NS3+ MolecularWeight: 242.40398

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CSC2=CC(=C(C=C21)SC)SC

Isomeric SMILES

C[N+]1=CSC2=CC(=C(C=C21)SC)SC

InChI

InChI=1S/C10H12NS3/c1-11-6-14-8-5-10(13-3)9(12-2)4-7(8)11/h4-6H,1-3H3/q+1