(E)-4-(4-methylsulfanylphenyl)-1-piperidin-2-yl-but-3-en-2-one

Systemtic Name: (E)-4-(4-methylsulfanylphenyl)-1-piperidin-2-yl-but-3-en-2-one Openeye Name: (E)-4-(4-methylsulfanylphenyl)-1-(2-piperidyl)but-3-en-2-one CAS Name: (E)-4-[4-(methylthio)phenyl]-1-(2-piperidinyl)-3-buten-2-one IUPAC Name: (E)-4-(4-methylsulfanylphenyl)-1-piperidin-2-ylbut-3-en-2-one Traditional Name: (E)-4-[4-(methylthio)phenyl]-1-(2-piperidyl)but-3-en-2-one Formula: C16H21NOS MolecularWeight: 275.40904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=CC(=O)CC2CCCCN2

Isomeric SMILES

CSC1=CC=C(C=C1)/C=C/C(=O)CC2CCCCN2

InChI

InChI=1S/C16H21NOS/c1-19-16-9-6-13(7-10-16)5-8-15(18)12-14-4-2-3-11-17-14/h5-10,14,17H,2-4,11-12H2,1H3/b8-5+