3-(4-methoxyphenyl)sulfanyl-2-methyl-5-phenyl-1,2-thiazol-2-ium; molecular iodine; iodide

Systemtic Name: 3-(4-methoxyphenyl)sulfanyl-2-methyl-5-phenyl-1,2-thiazol-2-ium; molecular iodine; iodide Openeye Name: 3-(4-methoxyphenyl)sulfanyl-2-methyl-5-phenyl-isothiazol-2-ium; molecular iodine; iodide CAS Name: 3-[(4-methoxyphenyl)thio]-2-methyl-5-phenylisothiazol-2-ium; molecular iodine; iodide IUPAC Name: 3-(4-methoxyphenyl)sulfanyl-2-methyl-5-phenyl-1,2-thiazol-2-ium; molecular iodine; iodide Traditional Name: 3-[(4-methoxyphenyl)thio]-2-methyl-5-phenyl-isothiazol-2-ium; molecular iodine; iodide Formula: C17H16I3NOS2 MolecularWeight: 695.15845

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C=C(S1)C2=CC=CC=C2)SC3=CC=C(C=C3)OC.[I-].II

Isomeric SMILES

C[N+]1=C(C=C(S1)C2=CC=CC=C2)SC3=CC=C(C=C3)OC.[I-].II

InChI

InChI=1S/C17H16NOS2.I2.HI/c1-18-17(20-15-10-8-14(19-2)9-11-15)12-16(21-18)13-6-4-3-5-7-13;1-2;/h3-12H,1-2H3;;1H/q+1;;/p-1