3-methyl-1-[3-methyl-2-oxidanyl-4-(5-pyridin-4-ylsulfanylpentoxy)phenyl]butan-1-one

Systemtic Name: 3-methyl-1-[3-methyl-2-oxidanyl-4-(5-pyridin-4-ylsulfanylpentoxy)phenyl]butan-1-one Openeye Name: 1-[2-hydroxy-3-methyl-4-[5-(4-pyridylsulfanyl)pentoxy]phenyl]-3-methyl-butan-1-one CAS Name: 1-[2-hydroxy-3-methyl-4-[5-(pyridin-4-ylthio)pentoxy]phenyl]-3-methyl-1-butanone IUPAC Name: 1-[2-hydroxy-3-methyl-4-(5-pyridin-4-ylsulfanylpentoxy)phenyl]-3-methylbutan-1-one Traditional Name: 1-[2-hydroxy-3-methyl-4-[5-(4-pyridylthio)pentoxy]phenyl]-3-methyl-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)OCCCCCSC2=CC=NC=C2

Isomeric SMILES

CC1=C(C=CC(=C1O)C(=O)CC(C)C)OCCCCCSC2=CC=NC=C2

InChI

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