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

Systemtic Name: (3,5-ditert-butyl-4-oxidanyl-phenyl)-(5-sulfanyl-1H-pyrrol-3-yl)methanone Openeye Name: (3,5-ditert-butyl-4-hydroxy-phenyl)-(5-sulfanyl-1H-pyrrol-3-yl)methanone CAS Name: (3,5-ditert-butyl-4-hydroxyphenyl)-(5-mercapto-1H-pyrrol-3-yl)methanone IUPAC Name: (3,5-ditert-butyl-4-hydroxyphenyl)-(5-sulfanyl-1H-pyrrol-3-yl)methanone Traditional Name: (3,5-ditert-butyl-4-hydroxy-phenyl)-(5-mercapto-1H-pyrrol-3-yl)methanone Formula: C19H25NO2S MolecularWeight: 331.4723

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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(=C2)S

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO2S/c1-18(2,3)13-7-11(8-14(17(13)22)19(4,5)6)16(21)12-9-15(23)20-10-12/h7-10,20,22-23H,1-6H3