3-methyl-2-(phenylmethylsulfanyl)-1,3-benzothiazol-3-ium

Systemtic Name: 3-methyl-2-(phenylmethylsulfanyl)-1,3-benzothiazol-3-ium Openeye Name: 2-benzylsulfanyl-3-methyl-1,3-benzothiazol-3-ium CAS Name: 3-methyl-2-(phenylmethylthio)-1,3-benzothiazol-3-ium IUPAC Name: 2-benzylsulfanyl-3-methyl-1,3-benzothiazol-3-ium Traditional Name: 2-(benzylthio)-3-methyl-1,3-benzothiazol-3-ium Formula: C15H14NS2+ MolecularWeight: 272.40836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC2=CC=CC=C21)SCC3=CC=CC=C3

Isomeric SMILES

C[N+]1=C(SC2=CC=CC=C21)SCC3=CC=CC=C3

InChI

InChI=1S/C15H14NS2/c1-16-13-9-5-6-10-14(13)18-15(16)17-11-12-7-3-2-4-8-12/h2-10H,11H2,1H3/q+1