2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-iodophenyl)ethanone bromide

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-iodophenyl)ethanone bromide Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-iodophenyl)ethanone bromide CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-(4-iodophenyl)ethanone bromide IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-iodophenyl)ethanone bromide Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]-1-(4-iodophenyl)ethanone bromide Formula: C14H13BrIN2OS- MolecularWeight: 464.13929

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)C2=CC=C(C=C2)I)C.[Br-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)C2=CC=C(C=C2)I)C.[Br-]

InChI

InChI=1S/C14H13IN2OS.BrH/c1-9-7-10(2)17-14(16-9)19-8-13(18)11-3-5-12(15)6-4-11;/h3-7H,8H2,1-2H3;1H/p-1