5,6-bis(chloranyl)-3-ethyl-1,3-benzothiazol-3-ium

Systemtic Name: 5,6-bis(chloranyl)-3-ethyl-1,3-benzothiazol-3-ium Openeye Name: 5,6-dichloro-3-ethyl-1,3-benzothiazol-3-ium CAS Name: 5,6-dichloro-3-ethyl-1,3-benzothiazol-3-ium IUPAC Name: 5,6-dichloro-3-ethyl-1,3-benzothiazol-3-ium Traditional Name: 5,6-dichloro-3-ethyl-1,3-benzothiazol-3-ium Formula: C9H8Cl2NS+ MolecularWeight: 233.13752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CSC2=CC(=C(C=C21)Cl)Cl

Isomeric SMILES

CC[N+]1=CSC2=CC(=C(C=C21)Cl)Cl

InChI

InChI=1S/C9H8Cl2NS/c1-2-12-5-13-9-4-7(11)6(10)3-8(9)12/h3-5H,2H2,1H3/q+1