4-butan-2-ylsulfanyl-1-phenyl-butan-1-one

Systemtic Name: 4-butan-2-ylsulfanyl-1-phenyl-butan-1-one Openeye Name: 1-phenyl-4-sec-butylsulfanyl-butan-1-one CAS Name: 4-(butan-2-ylthio)-1-phenyl-1-butanone IUPAC Name: 4-butan-2-ylsulfanyl-1-phenylbutan-1-one Traditional Name: 1-phenyl-4-(sec-butylthio)butan-1-one Formula: C14H20OS MolecularWeight: 236.373

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SCCCC(=O)C1=CC=CC=C1

Isomeric SMILES

CCC(C)SCCCC(=O)C1=CC=CC=C1

InChI

InChI=1S/C14H20OS/c1-3-12(2)16-11-7-10-14(15)13-8-5-4-6-9-13/h4-6,8-9,12H,3,7,10-11H2,1-2H3