1-[4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1-methyl-5-methylsulfanyl-pyrrol-3-yl]propan-1-one

Systemtic Name: 1-[4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1-methyl-5-methylsulfanyl-pyrrol-3-yl]propan-1-one Openeye Name: 1-[4-(3,5-ditert-butyl-4-hydroxy-phenyl)-1-methyl-5-methylsulfanyl-pyrrol-3-yl]propan-1-one CAS Name: 1-[4-(3,5-ditert-butyl-4-hydroxyphenyl)-1-methyl-5-(methylthio)-3-pyrrolyl]-1-propanone IUPAC Name: 1-[4-(3,5-ditert-butyl-4-hydroxyphenyl)-1-methyl-5-methylsulfanylpyrrol-3-yl]propan-1-one Traditional Name: 1-[4-(3,5-ditert-butyl-4-hydroxy-phenyl)-1-methyl-5-(methylthio)pyrrol-3-yl]propan-1-one Formula: C23H33NO2S MolecularWeight: 387.57862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CN(C(=C1C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)SC)C

Isomeric SMILES

CCC(=O)C1=CN(C(=C1C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)SC)C

InChI

InChI=1S/C23H33NO2S/c1-10-18(25)15-13-24(8)21(27-9)19(15)14-11-16(22(2,3)4)20(26)17(12-14)23(5,6)7/h11-13,26H,10H2,1-9H3