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

Systemtic Name: 3-methyl-1-[3-methyl-2-oxidanyl-4-(3-pyridin-4-ylsulfanylpropoxy)phenyl]butan-1-one Openeye Name: 1-[2-hydroxy-3-methyl-4-[3-(4-pyridylsulfanyl)propoxy]phenyl]-3-methyl-butan-1-one CAS Name: 1-[2-hydroxy-3-methyl-4-[3-(pyridin-4-ylthio)propoxy]phenyl]-3-methyl-1-butanone IUPAC Name: 1-[2-hydroxy-3-methyl-4-(3-pyridin-4-ylsulfanylpropoxy)phenyl]-3-methylbutan-1-one Traditional Name: 1-[2-hydroxy-3-methyl-4-[3-(4-pyridylthio)propoxy]phenyl]-3-methyl-butan-1-one Formula: C20H25NO3S MolecularWeight: 359.4824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1O)C(=O)CC(C)C)OCCCSC2=CC=NC=C2

Isomeric SMILES

CC1=C(C=CC(=C1O)C(=O)CC(C)C)OCCCSC2=CC=NC=C2

InChI

InChI=1S/C20H25NO3S/c1-14(2)13-18(22)17-5-6-19(15(3)20(17)23)24-11-4-12-25-16-7-9-21-10-8-16/h5-10,14,23H,4,11-13H2,1-3H3