1-(3-methyl-6-methylsulfanyl-1,2-benzothiazol-5-yl)ethanone

Systemtic Name: 1-(3-methyl-6-methylsulfanyl-1,2-benzothiazol-5-yl)ethanone Openeye Name: 1-(3-methyl-6-methylsulfanyl-1,2-benzothiazol-5-yl)ethanone CAS Name: 1-[3-methyl-6-(methylthio)-1,2-benzothiazol-5-yl]ethanone IUPAC Name: 1-(3-methyl-6-methylsulfanyl-1,2-benzothiazol-5-yl)ethanone Traditional Name: 1-[3-methyl-6-(methylthio)-1,2-benzothiazol-5-yl]ethanone Formula: C11H11NOS2 MolecularWeight: 237.34114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC2=CC(=C(C=C12)C(=O)C)SC

Isomeric SMILES

CC1=NSC2=CC(=C(C=C12)C(=O)C)SC

InChI

InChI=1S/C11H11NOS2/c1-6-8-4-9(7(2)13)10(14-3)5-11(8)15-12-6/h4-5H,1-3H3