2-bromanyl-1-(4-methylsulfanyl-3-propan-2-yl-phenyl)propan-1-one

Systemtic Name: 2-bromanyl-1-(4-methylsulfanyl-3-propan-2-yl-phenyl)propan-1-one Openeye Name: 2-bromo-1-(3-isopropyl-4-methylsulfanyl-phenyl)propan-1-one CAS Name: 2-bromo-1-[4-(methylthio)-3-propan-2-ylphenyl]-1-propanone IUPAC Name: 2-bromo-1-(4-methylsulfanyl-3-propan-2-ylphenyl)propan-1-one Traditional Name: 2-bromo-1-[3-isopropyl-4-(methylthio)phenyl]propan-1-one Formula: C13H17BrOS MolecularWeight: 301.24248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC(=C1)C(=O)C(C)Br)SC

Isomeric SMILES

CC(C)C1=C(C=CC(=C1)C(=O)C(C)Br)SC

InChI

InChI=1S/C13H17BrOS/c1-8(2)11-7-10(13(15)9(3)14)5-6-12(11)16-4/h5-9H,1-4H3