5-chloranyl-3-ethyl-2-ethylsulfanyl-1,3-benzothiazol-3-ium

Systemtic Name: 5-chloranyl-3-ethyl-2-ethylsulfanyl-1,3-benzothiazol-3-ium Openeye Name: 5-chloro-3-ethyl-2-ethylsulfanyl-1,3-benzothiazol-3-ium CAS Name: 5-chloro-3-ethyl-2-(ethylthio)-1,3-benzothiazol-3-ium IUPAC Name: 5-chloro-3-ethyl-2-ethylsulfanyl-1,3-benzothiazol-3-ium Traditional Name: 5-chloro-3-ethyl-2-(ethylthio)-1,3-benzothiazol-3-ium Formula: C11H13ClNS2+ MolecularWeight: 258.81062

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=C1C=C(C=C2)Cl)SCC

Isomeric SMILES

CC[N+]1=C(SC2=C1C=C(C=C2)Cl)SCC

InChI

InChI=1S/C11H13ClNS2/c1-3-13-9-7-8(12)5-6-10(9)15-11(13)14-4-2/h5-7H,3-4H2,1-2H3/q+1