3-methyl-1-[3-methyl-4-[4-(2-methylpyridin-4-yl)sulfanylbutoxy]-2-oxidanyl-phenyl]butan-1-one

Systemtic Name: 3-methyl-1-[3-methyl-4-[4-(2-methylpyridin-4-yl)sulfanylbutoxy]-2-oxidanyl-phenyl]butan-1-one Openeye Name: 1-[2-hydroxy-3-methyl-4-[4-[(2-methyl-4-pyridyl)sulfanyl]butoxy]phenyl]-3-methyl-butan-1-one CAS Name: 1-[2-hydroxy-3-methyl-4-[4-[(2-methyl-4-pyridinyl)thio]butoxy]phenyl]-3-methyl-1-butanone IUPAC Name: 1-[2-hydroxy-3-methyl-4-[4-(2-methylpyridin-4-yl)sulfanylbutoxy]phenyl]-3-methylbutan-1-one Traditional Name: 1-[2-hydroxy-3-methyl-4-[4-[(2-methyl-4-pyridyl)thio]butoxy]phenyl]-3-methyl-butan-1-one Formula: C22H29NO3S MolecularWeight: 387.53556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=C1)SCCCCOC2=C(C(=C(C=C2)C(=O)CC(C)C)O)C

Isomeric SMILES

CC1=NC=CC(=C1)SCCCCOC2=C(C(=C(C=C2)C(=O)CC(C)C)O)C

InChI

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