2-bromanyl-3-methyl-4-methylsulfanyl-1-phenyl-butan-1-one

Systemtic Name: 2-bromanyl-3-methyl-4-methylsulfanyl-1-phenyl-butan-1-one Openeye Name: 2-bromo-3-methyl-4-methylsulfanyl-1-phenyl-butan-1-one CAS Name: 2-bromo-3-methyl-4-(methylthio)-1-phenyl-1-butanone IUPAC Name: 2-bromo-3-methyl-4-methylsulfanyl-1-phenylbutan-1-one Traditional Name: 2-bromo-3-methyl-4-(methylthio)-1-phenyl-butan-1-one Formula: C12H15BrOS MolecularWeight: 287.2159

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15BrOS/c1-9(8-15-2)11(13)12(14)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3