3-methyl-1-[3-methyl-2-phenylmethoxy-4-(4-pyridin-4-ylsulfanylbutoxy)phenyl]butan-1-one

Systemtic Name: 3-methyl-1-[3-methyl-2-phenylmethoxy-4-(4-pyridin-4-ylsulfanylbutoxy)phenyl]butan-1-one Openeye Name: 1-[2-benzyloxy-3-methyl-4-[4-(4-pyridylsulfanyl)butoxy]phenyl]-3-methyl-butan-1-one CAS Name: 3-methyl-1-[3-methyl-2-phenylmethoxy-4-[4-(pyridin-4-ylthio)butoxy]phenyl]-1-butanone IUPAC Name: 3-methyl-1-[3-methyl-2-phenylmethoxy-4-(4-pyridin-4-ylsulfanylbutoxy)phenyl]butan-1-one Traditional Name: 1-[2-benzoxy-3-methyl-4-[4-(4-pyridylthio)butoxy]phenyl]-3-methyl-butan-1-one Formula: C28H33NO3S MolecularWeight: 463.63152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1OCC2=CC=CC=C2)C(=O)CC(C)C)OCCCCSC3=CC=NC=C3

Isomeric SMILES

CC1=C(C=CC(=C1OCC2=CC=CC=C2)C(=O)CC(C)C)OCCCCSC3=CC=NC=C3

InChI

InChI=1S/C28H33NO3S/c1-21(2)19-26(30)25-11-12-27(22(3)28(25)32-20-23-9-5-4-6-10-23)31-17-7-8-18-33-24-13-15-29-16-14-24/h4-6,9-16,21H,7-8,17-20H2,1-3H3