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

Systemtic Name: 1-[4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-5-ethylsulfanyl-1-methyl-pyrrol-3-yl]propan-1-one Openeye Name: 1-[4-(3,5-ditert-butyl-4-hydroxy-phenyl)-5-ethylsulfanyl-1-methyl-pyrrol-3-yl]propan-1-one CAS Name: 1-[4-(3,5-ditert-butyl-4-hydroxyphenyl)-5-(ethylthio)-1-methyl-3-pyrrolyl]-1-propanone IUPAC Name: 1-[4-(3,5-ditert-butyl-4-hydroxyphenyl)-5-ethylsulfanyl-1-methylpyrrol-3-yl]propan-1-one Traditional Name: 1-[4-(3,5-ditert-butyl-4-hydroxy-phenyl)-5-(ethylthio)-1-methyl-pyrrol-3-yl]propan-1-one Formula: C24H35NO2S MolecularWeight: 401.6052

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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)SCC)C

Isomeric SMILES

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

InChI

InChI=1S/C24H35NO2S/c1-10-19(26)16-14-25(9)22(28-11-2)20(16)15-12-17(23(3,4)5)21(27)18(13-15)24(6,7)8/h12-14,27H,10-11H2,1-9H3