3-ethyl-2-methyl-thieno[2,3-g][1,3]benzothiazol-3-ium iodide

Systemtic Name: 3-ethyl-2-methyl-thieno[2,3-g][1,3]benzothiazol-3-ium iodide Openeye Name: 3-ethyl-2-methyl-thieno[2,3-g][1,3]benzothiazol-3-ium iodide CAS Name: 3-ethyl-2-methylthieno[2,3-g][1,3]benzothiazol-3-ium iodide IUPAC Name: 3-ethyl-2-methylthieno[2,3-g][1,3]benzothiazol-3-ium iodide Traditional Name: 3-ethyl-2-methyl-thieno[2,3-g][1,3]benzothiazol-3-ium iodide Formula: C12H12INS2 MolecularWeight: 361.26485

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=C1C=CC3=C2C=CS3)C.[I-]

Isomeric SMILES

CC[N+]1=C(SC2=C1C=CC3=C2C=CS3)C.[I-]

InChI

InChI=1S/C12H12NS2.HI/c1-3-13-8(2)15-12-9-6-7-14-11(9)5-4-10(12)13;/h4-7H,3H2,1-2H3;1H/q+1;/p-1