3-[3-(4,5-dimethyl-2-methylsulfanyl-1,3-thiazol-3-ium-3-yl)-2,4,5,6-tetramethyl-phenyl]-4,5-dimethyl-1,3-thiazole-2-thione iodide

Systemtic Name: 3-[3-(4,5-dimethyl-2-methylsulfanyl-1,3-thiazol-3-ium-3-yl)-2,4,5,6-tetramethyl-phenyl]-4,5-dimethyl-1,3-thiazole-2-thione iodide Openeye Name: 3-[3-(4,5-dimethyl-2-methylsulfanyl-thiazol-3-ium-3-yl)-2,4,5,6-tetramethyl-phenyl]-4,5-dimethyl-thiazole-2-thione iodide CAS Name: 3-[3-[4,5-dimethyl-2-(methylthio)-3-thiazol-3-iumyl]-2,4,5,6-tetramethylphenyl]-4,5-dimethyl-2-thiazolethione iodide IUPAC Name: 3-[3-(4,5-dimethyl-2-methylsulfanyl-1,3-thiazol-3-ium-3-yl)-2,4,5,6-tetramethylphenyl]-4,5-dimethyl-1,3-thiazole-2-thione iodide Traditional Name: 3-[3-[4,5-dimethyl-2-(methylthio)thiazol-3-ium-3-yl]-2,4,5,6-tetramethyl-phenyl]-4,5-dimethyl-4-thiazoline-2-thione iodide Formula: C21H27IN2S4 MolecularWeight: 562.61695

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)[N+]2=C(SC(=C2C)C)SC)C)N3C(=C(SC3=S)C)C)C.[I-]

Isomeric SMILES

CC1=C(C(=C(C(=C1C)[N+]2=C(SC(=C2C)C)SC)C)N3C(=C(SC3=S)C)C)C.[I-]

InChI

InChI=1S/C21H27N2S4.HI/c1-10-11(2)18(22-14(5)16(7)26-20(22)24)13(4)19(12(10)3)23-15(6)17(8)27-21(23)25-9;/h1-9H3;1H/q+1;/p-1