2-[(4-methoxyphenyl)methyl]-3-methylsulfanyl-5-phenyl-1,2-thiazol-2-ium iodide

Systemtic Name: 2-[(4-methoxyphenyl)methyl]-3-methylsulfanyl-5-phenyl-1,2-thiazol-2-ium iodide Openeye Name: 2-[(4-methoxyphenyl)methyl]-3-methylsulfanyl-5-phenyl-isothiazol-2-ium iodide CAS Name: 2-[(4-methoxyphenyl)methyl]-3-(methylthio)-5-phenylisothiazol-2-ium iodide IUPAC Name: 2-[(4-methoxyphenyl)methyl]-3-methylsulfanyl-5-phenyl-1,2-thiazol-2-ium iodide Traditional Name: 3-(methylthio)-2-p-anisyl-5-phenyl-isothiazol-2-ium iodide Formula: C18H18INOS2 MolecularWeight: 455.37609

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[N+]2=C(C=C(S2)C3=CC=CC=C3)SC.[I-]

Isomeric SMILES

COC1=CC=C(C=C1)C[N+]2=C(C=C(S2)C3=CC=CC=C3)SC.[I-]

InChI

InChI=1S/C18H18NOS2.HI/c1-20-16-10-8-14(9-11-16)13-19-18(21-2)12-17(22-19)15-6-4-3-5-7-15;/h3-12H,13H2,1-2H3;1H/q+1;/p-1