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

Systemtic Name: 1-[3-methyl-5-(phenylmethylsulfanyl)imidazol-4-yl]ethanone hydrobromide Openeye Name: 1-(5-benzylsulfanyl-3-methyl-imidazol-4-yl)ethanone hydrobromide CAS Name: 1-[3-methyl-5-(phenylmethylthio)-4-imidazolyl]ethanone hydrobromide IUPAC Name: 1-(5-benzylsulfanyl-3-methylimidazol-4-yl)ethanone hydrobromide Traditional Name: 1-[5-(benzylthio)-3-methyl-imidazol-4-yl]ethanone hydrobromide Formula: C13H15BrN2OS MolecularWeight: 327.24

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(N=CN1C)SCC2=CC=CC=C2.Br

Isomeric SMILES

CC(=O)C1=C(N=CN1C)SCC2=CC=CC=C2.Br

InChI

InChI=1S/C13H14N2OS.BrH/c1-10(16)12-13(14-9-15(12)2)17-8-11-6-4-3-5-7-11;/h3-7,9H,8H2,1-2H3;1H