2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1-(1-methyl-5-methylsulfanyl-pyrrol-3-yl)ethanone

Systemtic Name: 2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1-(1-methyl-5-methylsulfanyl-pyrrol-3-yl)ethanone Openeye Name: 2-(3,5-ditert-butyl-4-hydroxy-phenyl)-1-(1-methyl-5-methylsulfanyl-pyrrol-3-yl)ethanone CAS Name: 2-(3,5-ditert-butyl-4-hydroxyphenyl)-1-[1-methyl-5-(methylthio)-3-pyrrolyl]ethanone IUPAC Name: 2-(3,5-ditert-butyl-4-hydroxyphenyl)-1-(1-methyl-5-methylsulfanylpyrrol-3-yl)ethanone Traditional Name: 2-(3,5-ditert-butyl-4-hydroxy-phenyl)-1-[1-methyl-5-(methylthio)pyrrol-3-yl]ethanone Formula: C22H31NO2S MolecularWeight: 373.55204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC(=O)C2=CN(C(=C2)SC)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC(=O)C2=CN(C(=C2)SC)C

InChI

InChI=1S/C22H31NO2S/c1-21(2,3)16-9-14(10-17(20(16)25)22(4,5)6)11-18(24)15-12-19(26-8)23(7)13-15/h9-10,12-13,25H,11H2,1-8H3