2-bromanyl-1-[3-methyl-5-(phenylmethylsulfanyl)imidazol-4-yl]ethanone hydrobromide

Systemtic Name: 2-bromanyl-1-[3-methyl-5-(phenylmethylsulfanyl)imidazol-4-yl]ethanone hydrobromide Openeye Name: 1-(5-benzylsulfanyl-3-methyl-imidazol-4-yl)-2-bromo-ethanone hydrobromide CAS Name: 2-bromo-1-[3-methyl-5-(phenylmethylthio)-4-imidazolyl]ethanone hydrobromide IUPAC Name: 1-(5-benzylsulfanyl-3-methylimidazol-4-yl)-2-bromoethanone hydrobromide Traditional Name: 1-[5-(benzylthio)-3-methyl-imidazol-4-yl]-2-bromo-ethanone hydrobromide Formula: C13H14Br2N2OS MolecularWeight: 406.13606

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1C(=O)CBr)SCC2=CC=CC=C2.Br

Isomeric SMILES

CN1C=NC(=C1C(=O)CBr)SCC2=CC=CC=C2.Br

InChI

InChI=1S/C13H13BrN2OS.BrH/c1-16-9-15-13(12(16)11(17)7-14)18-8-10-5-3-2-4-6-10;/h2-6,9H,7-8H2,1H3;1H