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

Systemtic Name: 2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1-[1-(phenylmethyl)-5-sulfanyl-pyrrol-3-yl]ethanone Openeye Name: 1-(1-benzyl-5-sulfanyl-pyrrol-3-yl)-2-(3,5-ditert-butyl-4-hydroxy-phenyl)ethanone CAS Name: 2-(3,5-ditert-butyl-4-hydroxyphenyl)-1-[5-mercapto-1-(phenylmethyl)-3-pyrrolyl]ethanone IUPAC Name: 1-(1-benzyl-5-sulfanylpyrrol-3-yl)-2-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone Traditional Name: 1-(1-benzyl-5-mercapto-pyrrol-3-yl)-2-(3,5-ditert-butyl-4-hydroxy-phenyl)ethanone Formula: C27H33NO2S MolecularWeight: 435.62142

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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)S)CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C27H33NO2S/c1-26(2,3)21-12-19(13-22(25(21)30)27(4,5)6)14-23(29)20-15-24(31)28(17-20)16-18-10-8-7-9-11-18/h7-13,15,17,30-31H,14,16H2,1-6H3