3-ethyl-2-methyl-5,6-bis(methylsulfanyl)-1,3-benzothiazol-3-ium

Systemtic Name: 3-ethyl-2-methyl-5,6-bis(methylsulfanyl)-1,3-benzothiazol-3-ium Openeye Name: 3-ethyl-2-methyl-5,6-bis(methylsulfanyl)-1,3-benzothiazol-3-ium CAS Name: 3-ethyl-2-methyl-5,6-bis(methylthio)-1,3-benzothiazol-3-ium IUPAC Name: 3-ethyl-2-methyl-5,6-bis(methylsulfanyl)-1,3-benzothiazol-3-ium Traditional Name: 3-ethyl-2-methyl-5,6-bis(methylthio)-1,3-benzothiazol-3-ium Formula: C12H16NS3+ MolecularWeight: 270.45714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16NS3/c1-5-13-8(2)16-10-7-12(15-4)11(14-3)6-9(10)13/h6-7H,5H2,1-4H3/q+1