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

Systemtic Name: 3-ethyl-2-methyl-thieno[2,3-g][1,3]benzothiazol-3-ium Openeye Name: 3-ethyl-2-methyl-thieno[2,3-g][1,3]benzothiazol-3-ium CAS Name: 3-ethyl-2-methylthieno[2,3-g][1,3]benzothiazol-3-ium IUPAC Name: 3-ethyl-2-methylthieno[2,3-g][1,3]benzothiazol-3-ium Traditional Name: 3-ethyl-2-methyl-thieno[2,3-g][1,3]benzothiazol-3-ium Formula: C12H12NS2+ MolecularWeight: 234.36038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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