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

Systemtic Name: 3-(4-bromophenyl)sulfanyl-2-methyl-5-phenyl-1,2-thiazol-2-ium; molecular iodine; iodide Openeye Name: 3-(4-bromophenyl)sulfanyl-2-methyl-5-phenyl-isothiazol-2-ium; molecular iodine; iodide CAS Name: 3-[(4-bromophenyl)thio]-2-methyl-5-phenylisothiazol-2-ium; molecular iodine; iodide IUPAC Name: 3-(4-bromophenyl)sulfanyl-2-methyl-5-phenyl-1,2-thiazol-2-ium; molecular iodine; iodide Traditional Name: 3-[(4-bromophenyl)thio]-2-methyl-5-phenyl-isothiazol-2-ium; molecular iodine; iodide Formula: C16H13BrI3NS2 MolecularWeight: 744.02853

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13BrNS2.I2.HI/c1-18-16(19-14-9-7-13(17)8-10-14)11-15(20-18)12-5-3-2-4-6-12;1-2;/h2-11H,1H3;;1H/q+1;;/p-1