1-[3-[(E)-3-methylsulfanylbut-1-enyl]phenyl]ethanone

Systemtic Name: 1-[3-[(E)-3-methylsulfanylbut-1-enyl]phenyl]ethanone Openeye Name: 1-[3-[(E)-3-methylsulfanylbut-1-enyl]phenyl]ethanone CAS Name: 1-[3-[(E)-3-(methylthio)but-1-enyl]phenyl]ethanone IUPAC Name: 1-[3-[(E)-3-methylsulfanylbut-1-enyl]phenyl]ethanone Traditional Name: 1-[3-[(E)-3-(methylthio)but-1-enyl]phenyl]ethanone Formula: C13H16OS MolecularWeight: 220.33054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C=CC1=CC(=CC=C1)C(=O)C)SC

Isomeric SMILES

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

InChI

InChI=1S/C13H16OS/c1-10(15-3)7-8-12-5-4-6-13(9-12)11(2)14/h4-10H,1-3H3/b8-7+