3-ethyl-2-methyl-5-methylsulfinyl-1,3-benzothiazol-3-ium

Systemtic Name: 3-ethyl-2-methyl-5-methylsulfinyl-1,3-benzothiazol-3-ium Openeye Name: 3-ethyl-2-methyl-5-methylsulfinyl-1,3-benzothiazol-3-ium CAS Name: 3-ethyl-2-methyl-5-methylsulfinyl-1,3-benzothiazol-3-ium IUPAC Name: 3-ethyl-2-methyl-5-methylsulfinyl-1,3-benzothiazol-3-ium Traditional Name: 3-ethyl-2-methyl-5-methylsulfinyl-1,3-benzothiazol-3-ium Formula: C11H14NOS2+ MolecularWeight: 240.36496

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=C1C=C(C=C2)S(=O)C)C

Isomeric SMILES

CC[N+]1=C(SC2=C1C=C(C=C2)S(=O)C)C

InChI

InChI=1S/C11H14NOS2/c1-4-12-8(2)14-11-6-5-9(15(3)13)7-10(11)12/h5-7H,4H2,1-3H3/q+1