2-methyl-5-methylsulfonyl-1,3-benzothiazole

Systemtic Name: 2-methyl-5-methylsulfonyl-1,3-benzothiazole Openeye Name: 2-methyl-5-methylsulfonyl-1,3-benzothiazole CAS Name: 2-methyl-5-methylsulfonyl-1,3-benzothiazole IUPAC Name: 2-methyl-5-methylsulfonyl-1,3-benzothiazole Traditional Name: 5-mesyl-2-methyl-1,3-benzothiazole Formula: C9H9NO2S2 MolecularWeight: 227.30326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=CC(=C2)S(=O)(=O)C

Isomeric SMILES

CC1=NC2=C(S1)C=CC(=C2)S(=O)(=O)C

InChI

InChI=1S/C9H9NO2S2/c1-6-10-8-5-7(14(2,11)12)3-4-9(8)13-6/h3-5H,1-2H3