4-(2-methylpropylsulfanyl)-1-phenyl-butan-1-one

Systemtic Name: 4-(2-methylpropylsulfanyl)-1-phenyl-butan-1-one Openeye Name: 4-isobutylsulfanyl-1-phenyl-butan-1-one CAS Name: 4-(2-methylpropylthio)-1-phenyl-1-butanone IUPAC Name: 4-(2-methylpropylsulfanyl)-1-phenylbutan-1-one Traditional Name: 4-(isobutylthio)-1-phenyl-butan-1-one Formula: C14H20OS MolecularWeight: 236.373

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSCCCC(=O)C1=CC=CC=C1

Isomeric SMILES

CC(C)CSCCCC(=O)C1=CC=CC=C1

InChI

InChI=1S/C14H20OS/c1-12(2)11-16-10-6-9-14(15)13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-11H2,1-2H3