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

Systemtic Name: 1-[4-[[3-methoxy-4-(pyridin-4-ylsulfanylmethyl)phenyl]methoxy]-3-methyl-2-oxidanyl-phenyl]-3-methyl-butan-1-one Openeye Name: 1-[2-hydroxy-4-[[3-methoxy-4-(4-pyridylsulfanylmethyl)phenyl]methoxy]-3-methyl-phenyl]-3-methyl-butan-1-one CAS Name: 1-[2-hydroxy-4-[[3-methoxy-4-[(pyridin-4-ylthio)methyl]phenyl]methoxy]-3-methylphenyl]-3-methyl-1-butanone IUPAC Name: 1-[2-hydroxy-4-[[3-methoxy-4-(pyridin-4-ylsulfanylmethyl)phenyl]methoxy]-3-methylphenyl]-3-methylbutan-1-one Traditional Name: 1-[2-hydroxy-4-[3-methoxy-4-[(4-pyridylthio)methyl]benzyl]oxy-3-methyl-phenyl]-3-methyl-butan-1-one Formula: C26H29NO4S MolecularWeight: 451.57776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1O)C(=O)CC(C)C)OCC2=CC(=C(C=C2)CSC3=CC=NC=C3)OC

Isomeric SMILES

CC1=C(C=CC(=C1O)C(=O)CC(C)C)OCC2=CC(=C(C=C2)CSC3=CC=NC=C3)OC

InChI

InChI=1S/C26H29NO4S/c1-17(2)13-23(28)22-7-8-24(18(3)26(22)29)31-15-19-5-6-20(25(14-19)30-4)16-32-21-9-11-27-12-10-21/h5-12,14,17,29H,13,15-16H2,1-4H3