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

Systemtic Name: 2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1-[5-methylsulfanyl-1-(phenylmethyl)pyrrol-3-yl]ethanone Openeye Name: 1-(1-benzyl-5-methylsulfanyl-pyrrol-3-yl)-2-(3,5-ditert-butyl-4-hydroxy-phenyl)ethanone CAS Name: 2-(3,5-ditert-butyl-4-hydroxyphenyl)-1-[5-(methylthio)-1-(phenylmethyl)-3-pyrrolyl]ethanone IUPAC Name: 1-(1-benzyl-5-methylsulfanylpyrrol-3-yl)-2-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone Traditional Name: 1-[1-benzyl-5-(methylthio)pyrrol-3-yl]-2-(3,5-ditert-butyl-4-hydroxy-phenyl)ethanone Formula: C28H35NO2S MolecularWeight: 449.648

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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)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC(=O)C2=CN(C(=C2)SC)CC3=CC=CC=C3

InChI

InChI=1S/C28H35NO2S/c1-27(2,3)22-13-20(14-23(26(22)31)28(4,5)6)15-24(30)21-16-25(32-7)29(18-21)17-19-11-9-8-10-12-19/h8-14,16,18,31H,15,17H2,1-7H3