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

Systemtic Name: 5-(4-chlorophenyl)-2-methyl-3-phenylsulfanyl-1,2-thiazol-2-ium; molecular iodine; iodide Openeye Name: 5-(4-chlorophenyl)-2-methyl-3-phenylsulfanyl-isothiazol-2-ium; molecular iodine; iodide CAS Name: 5-(4-chlorophenyl)-2-methyl-3-(phenylthio)isothiazol-2-ium; molecular iodine; iodide IUPAC Name: 5-(4-chlorophenyl)-2-methyl-3-phenylsulfanyl-1,2-thiazol-2-ium; molecular iodine; iodide Traditional Name: 5-(4-chlorophenyl)-2-methyl-3-(phenylthio)isothiazol-2-ium; molecular iodine; iodide Formula: C16H13ClI3NS2 MolecularWeight: 699.57753

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClNS2.I2.HI/c1-18-16(19-14-5-3-2-4-6-14)11-15(20-18)12-7-9-13(17)10-8-12;1-2;/h2-11H,1H3;;1H/q+1;;/p-1