(3,5-ditert-butyl-4-oxidanyl-phenyl)-(1-methyl-5-sulfanyl-pyrrol-3-yl)methanone

Systemtic Name: (3,5-ditert-butyl-4-oxidanyl-phenyl)-(1-methyl-5-sulfanyl-pyrrol-3-yl)methanone Openeye Name: (3,5-ditert-butyl-4-hydroxy-phenyl)-(1-methyl-5-sulfanyl-pyrrol-3-yl)methanone CAS Name: (3,5-ditert-butyl-4-hydroxyphenyl)-(5-mercapto-1-methyl-3-pyrrolyl)methanone IUPAC Name: (3,5-ditert-butyl-4-hydroxyphenyl)-(1-methyl-5-sulfanylpyrrol-3-yl)methanone Traditional Name: (3,5-ditert-butyl-4-hydroxy-phenyl)-(5-mercapto-1-methyl-pyrrol-3-yl)methanone Formula: C20H27NO2S MolecularWeight: 345.49888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO2S/c1-19(2,3)14-8-12(9-15(18(14)23)20(4,5)6)17(22)13-10-16(24)21(7)11-13/h8-11,23-24H,1-7H3