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

Systemtic Name: 3-methyl-1-[3-methyl-2-oxidanyl-4-(4-pyridin-3-ylsulfanylbutoxy)phenyl]butan-1-one Openeye Name: 1-[2-hydroxy-3-methyl-4-[4-(3-pyridylsulfanyl)butoxy]phenyl]-3-methyl-butan-1-one CAS Name: 1-[2-hydroxy-3-methyl-4-[4-(3-pyridinylthio)butoxy]phenyl]-3-methyl-1-butanone IUPAC Name: 1-[2-hydroxy-3-methyl-4-(4-pyridin-3-ylsulfanylbutoxy)phenyl]-3-methylbutan-1-one Traditional Name: 1-[2-hydroxy-3-methyl-4-[4-(3-pyridylthio)butoxy]phenyl]-3-methyl-butan-1-one Formula: C21H27NO3S MolecularWeight: 373.50898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO3S/c1-15(2)13-19(23)18-8-9-20(16(3)21(18)24)25-11-4-5-12-26-17-7-6-10-22-14-17/h6-10,14-15,24H,4-5,11-13H2,1-3H3