2-cyclohexyl-2,4-dimethyl-3-phenyl-1,2-thiazol-2-ium-5-thione iodide

Systemtic Name: 2-cyclohexyl-2,4-dimethyl-3-phenyl-1,2-thiazol-2-ium-5-thione iodide Openeye Name: 2-cyclohexyl-2,4-dimethyl-3-phenyl-isothiazol-2-ium-5-thione iodide CAS Name: 2-cyclohexyl-2,4-dimethyl-3-phenyl-5-isothiazol-2-iumthione iodide IUPAC Name: 2-cyclohexyl-2,4-dimethyl-3-phenyl-1,2-thiazol-2-ium-5-thione iodide Traditional Name: 2-cyclohexyl-2,4-dimethyl-3-phenyl-3-isothiazolin-2-ium-5-thione iodide Formula: C17H22INS2 MolecularWeight: 431.39775

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+](SC1=S)(C)C2CCCCC2)C3=CC=CC=C3.[I-]

Isomeric SMILES

CC1=C([N+](SC1=S)(C)C2CCCCC2)C3=CC=CC=C3.[I-]

InChI

InChI=1S/C17H22NS2.HI/c1-13-16(14-9-5-3-6-10-14)18(2,20-17(13)19)15-11-7-4-8-12-15;/h3,5-6,9-10,15H,4,7-8,11-12H2,1-2H3;1H/q+1;/p-1