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

Systemtic Name: 1-[5-(3,5-ditert-butyl-4-oxidanyl-phenyl)-5-methylsulfanyl-pyrrol-3-yl]ethanone Openeye Name: 1-[5-(3,5-ditert-butyl-4-hydroxy-phenyl)-5-methylsulfanyl-pyrrol-3-yl]ethanone CAS Name: 1-[5-(3,5-ditert-butyl-4-hydroxyphenyl)-5-(methylthio)-3-pyrrolyl]ethanone IUPAC Name: 1-[5-(3,5-ditert-butyl-4-hydroxyphenyl)-5-methylsulfanylpyrrol-3-yl]ethanone Traditional Name: 1-[5-(3,5-ditert-butyl-4-hydroxy-phenyl)-5-(methylthio)pyrrol-3-yl]ethanone Formula: C21H29NO2S MolecularWeight: 359.52546

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(N=C1)(C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)SC

Isomeric SMILES

CC(=O)C1=CC(N=C1)(C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)SC

InChI

InChI=1S/C21H29NO2S/c1-13(23)14-11-21(25-8,22-12-14)15-9-16(19(2,3)4)18(24)17(10-15)20(5,6)7/h9-12,24H,1-8H3