5-methyl-2-[tris(bromanyl)methylsulfonyl]-1,3-benzothiazole

Systemtic Name: 5-methyl-2-[tris(bromanyl)methylsulfonyl]-1,3-benzothiazole Openeye Name: 5-methyl-2-(tribromomethylsulfonyl)-1,3-benzothiazole CAS Name: 5-methyl-2-(tribromomethylsulfonyl)-1,3-benzothiazole IUPAC Name: 5-methyl-2-(tribromomethylsulfonyl)-1,3-benzothiazole Traditional Name: 5-methyl-2-(tribromomethylsulfonyl)-1,3-benzothiazole Formula: C9H6Br3NO2S2 MolecularWeight: 463.99144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC(=N2)S(=O)(=O)C(Br)(Br)Br

Isomeric SMILES

CC1=CC2=C(C=C1)SC(=N2)S(=O)(=O)C(Br)(Br)Br

InChI

InChI=1S/C9H6Br3NO2S2/c1-5-2-3-7-6(4-5)13-8(16-7)17(14,15)9(10,11)12/h2-4H,1H3