1-methyl-2-methylsulfanyl-benzo[e][1,3]benzothiazol-1-ium

Systemtic Name: 1-methyl-2-methylsulfanyl-benzo[e][1,3]benzothiazol-1-ium Openeye Name: 1-methyl-2-methylsulfanyl-benzo[e][1,3]benzothiazol-1-ium CAS Name: 1-methyl-2-(methylthio)benzo[e][1,3]benzothiazol-1-ium IUPAC Name: 1-methyl-2-methylsulfanylbenzo[e][1,3]benzothiazol-1-ium Traditional Name: 1-methyl-2-(methylthio)benzo[e][1,3]benzothiazol-1-ium Formula: C13H12NS2+ MolecularWeight: 246.37108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC2=C1C3=CC=CC=C3C=C2)SC

Isomeric SMILES

C[N+]1=C(SC2=C1C3=CC=CC=C3C=C2)SC

InChI

InChI=1S/C13H12NS2/c1-14-12-10-6-4-3-5-9(10)7-8-11(12)16-13(14)15-2/h3-8H,1-2H3/q+1