2-(methylsulfonylmethyl)-1,3-benzothiazole

Systemtic Name: 2-(methylsulfonylmethyl)-1,3-benzothiazole Openeye Name: 2-(methylsulfonylmethyl)-1,3-benzothiazole CAS Name: 2-(methylsulfonylmethyl)-1,3-benzothiazole IUPAC Name: 2-(methylsulfonylmethyl)-1,3-benzothiazole Traditional Name: 2-(mesylmethyl)-1,3-benzothiazole Formula: C9H9NO2S2 MolecularWeight: 227.30326

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC1=NC2=CC=CC=C2S1

Isomeric SMILES

CS(=O)(=O)CC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C9H9NO2S2/c1-14(11,12)6-9-10-7-4-2-3-5-8(7)13-9/h2-5H,6H2,1H3