2-ethyl-5-(4-methoxyphenyl)-3-phenylsulfanyl-1,2-thiazol-2-ium; molecular iodine; iodide

Systemtic Name: 2-ethyl-5-(4-methoxyphenyl)-3-phenylsulfanyl-1,2-thiazol-2-ium; molecular iodine; iodide Openeye Name: 2-ethyl-5-(4-methoxyphenyl)-3-phenylsulfanyl-isothiazol-2-ium; molecular iodine; iodide CAS Name: 2-ethyl-5-(4-methoxyphenyl)-3-(phenylthio)isothiazol-2-ium; molecular iodine; iodide IUPAC Name: 2-ethyl-5-(4-methoxyphenyl)-3-phenylsulfanyl-1,2-thiazol-2-ium; molecular iodine; iodide Traditional Name: 2-ethyl-5-(4-methoxyphenyl)-3-(phenylthio)isothiazol-2-ium; molecular iodine; iodide Formula: C18H18I3NOS2 MolecularWeight: 709.18503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18NOS2.I2.HI/c1-3-19-18(21-16-7-5-4-6-8-16)13-17(22-19)14-9-11-15(20-2)12-10-14;1-2;/h4-13H,3H2,1-2H3;;1H/q+1;;/p-1