1-phenyl-4-propylsulfanyl-butan-1-one

Systemtic Name: 1-phenyl-4-propylsulfanyl-butan-1-one Openeye Name: 1-phenyl-4-propylsulfanyl-butan-1-one CAS Name: 1-phenyl-4-(propylthio)-1-butanone IUPAC Name: 1-phenyl-4-propylsulfanylbutan-1-one Traditional Name: 1-phenyl-4-(propylthio)butan-1-one Formula: C13H18OS MolecularWeight: 222.34642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSCCCC(=O)C1=CC=CC=C1

Isomeric SMILES

CCCSCCCC(=O)C1=CC=CC=C1

InChI

InChI=1S/C13H18OS/c1-2-10-15-11-6-9-13(14)12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3