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

Systemtic Name: 3-(2-bromophenyl)sulfanyl-5-(4-chlorophenyl)-2-methyl-1,2-thiazol-2-ium; molecular iodine; iodide Openeye Name: 3-(2-bromophenyl)sulfanyl-5-(4-chlorophenyl)-2-methyl-isothiazol-2-ium; molecular iodine; iodide CAS Name: 3-[(2-bromophenyl)thio]-5-(4-chlorophenyl)-2-methylisothiazol-2-ium; molecular iodine; iodide IUPAC Name: 3-(2-bromophenyl)sulfanyl-5-(4-chlorophenyl)-2-methyl-1,2-thiazol-2-ium; molecular iodine; iodide Traditional Name: 3-[(2-bromophenyl)thio]-5-(4-chlorophenyl)-2-methyl-isothiazol-2-ium; molecular iodine; iodide Formula: C16H12BrClI3NS2 MolecularWeight: 778.47359

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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=C3Br.[I-].II

Isomeric SMILES

C[N+]1=C(C=C(S1)C2=CC=C(C=C2)Cl)SC3=CC=CC=C3Br.[I-].II

InChI

InChI=1S/C16H12BrClNS2.I2.HI/c1-19-16(20-14-5-3-2-4-13(14)17)10-15(21-19)11-6-8-12(18)9-7-11;1-2;/h2-10H,1H3;;1H/q+1;;/p-1