3-(diethylamino)-1-[4-(3-methylbutylsulfanyl)phenyl]propan-1-ol

Systemtic Name: 3-(diethylamino)-1-[4-(3-methylbutylsulfanyl)phenyl]propan-1-ol Openeye Name: 3-(diethylamino)-1-(4-isopentylsulfanylphenyl)propan-1-ol CAS Name: 3-(diethylamino)-1-[4-(3-methylbutylthio)phenyl]-1-propanol IUPAC Name: 3-(diethylamino)-1-[4-(3-methylbutylsulfanyl)phenyl]propan-1-ol Traditional Name: 3-(diethylamino)-1-[4-(isoamylthio)phenyl]propan-1-ol Formula: C18H31NOS MolecularWeight: 309.50984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC(C1=CC=C(C=C1)SCCC(C)C)O

Isomeric SMILES

CCN(CC)CCC(C1=CC=C(C=C1)SCCC(C)C)O

InChI

InChI=1S/C18H31NOS/c1-5-19(6-2)13-11-18(20)16-7-9-17(10-8-16)21-14-12-15(3)4/h7-10,15,18,20H,5-6,11-14H2,1-4H3