(3,5-ditert-butyl-4-oxidanyl-phenyl)-(4-methylsulfanyl-1H-pyrrol-3-yl)methanone

Systemtic Name: (3,5-ditert-butyl-4-oxidanyl-phenyl)-(4-methylsulfanyl-1H-pyrrol-3-yl)methanone Openeye Name: (3,5-ditert-butyl-4-hydroxy-phenyl)-(4-methylsulfanyl-1H-pyrrol-3-yl)methanone CAS Name: (3,5-ditert-butyl-4-hydroxyphenyl)-[4-(methylthio)-1H-pyrrol-3-yl]methanone IUPAC Name: (3,5-ditert-butyl-4-hydroxyphenyl)-(4-methylsulfanyl-1H-pyrrol-3-yl)methanone Traditional Name: (3,5-ditert-butyl-4-hydroxy-phenyl)-[4-(methylthio)-1H-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=CNC=C2SC

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)C2=CNC=C2SC

InChI

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