3,3-dimethyl-1-[3-methyl-2-oxidanyl-4-(4-pyridin-4-ylsulfanylbutoxy)phenyl]butan-1-one

Systemtic Name: 3,3-dimethyl-1-[3-methyl-2-oxidanyl-4-(4-pyridin-4-ylsulfanylbutoxy)phenyl]butan-1-one Openeye Name: 1-[2-hydroxy-3-methyl-4-[4-(4-pyridylsulfanyl)butoxy]phenyl]-3,3-dimethyl-butan-1-one CAS Name: 1-[2-hydroxy-3-methyl-4-[4-(pyridin-4-ylthio)butoxy]phenyl]-3,3-dimethyl-1-butanone IUPAC Name: 1-[2-hydroxy-3-methyl-4-(4-pyridin-4-ylsulfanylbutoxy)phenyl]-3,3-dimethylbutan-1-one Traditional Name: 1-[2-hydroxy-3-methyl-4-[4-(4-pyridylthio)butoxy]phenyl]-3,3-dimethyl-butan-1-one Formula: C22H29NO3S MolecularWeight: 387.53556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1O)C(=O)CC(C)(C)C)OCCCCSC2=CC=NC=C2

Isomeric SMILES

CC1=C(C=CC(=C1O)C(=O)CC(C)(C)C)OCCCCSC2=CC=NC=C2

InChI

InChI=1S/C22H29NO3S/c1-16-20(8-7-18(21(16)25)19(24)15-22(2,3)4)26-13-5-6-14-27-17-9-11-23-12-10-17/h7-12,25H,5-6,13-15H2,1-4H3