3-(2-methylsulfonylethyl)-1,3-benzothiazol-3-ium

Systemtic Name: 3-(2-methylsulfonylethyl)-1,3-benzothiazol-3-ium Openeye Name: 3-(2-methylsulfonylethyl)-1,3-benzothiazol-3-ium CAS Name: 3-(2-methylsulfonylethyl)-1,3-benzothiazol-3-ium IUPAC Name: 3-(2-methylsulfonylethyl)-1,3-benzothiazol-3-ium Traditional Name: 3-(2-mesylethyl)-1,3-benzothiazol-3-ium Formula: C10H12NO2S2+ MolecularWeight: 242.33778

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC[N+]1=CSC2=CC=CC=C21

Isomeric SMILES

CS(=O)(=O)CC[N+]1=CSC2=CC=CC=C21

InChI

InChI=1S/C10H12NO2S2/c1-15(12,13)7-6-11-8-14-10-5-3-2-4-9(10)11/h2-5,8H,6-7H2,1H3/q+1