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

Systemtic Name: [4,5-bis(methylsulfanyl)-1H-pyrrol-3-yl]-(3,5-ditert-butyl-4-oxidanyl-phenyl)methanone Openeye Name: [4,5-bis(methylsulfanyl)-1H-pyrrol-3-yl]-(3,5-ditert-butyl-4-hydroxy-phenyl)methanone CAS Name: [4,5-bis(methylthio)-1H-pyrrol-3-yl]-(3,5-ditert-butyl-4-hydroxyphenyl)methanone IUPAC Name: [4,5-bis(methylsulfanyl)-1H-pyrrol-3-yl]-(3,5-ditert-butyl-4-hydroxyphenyl)methanone Traditional Name: [4,5-bis(methylthio)-1H-pyrrol-3-yl]-(3,5-ditert-butyl-4-hydroxy-phenyl)methanone Formula: C21H29NO2S2 MolecularWeight: 391.59046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO2S2/c1-20(2,3)14-9-12(10-15(17(14)24)21(4,5)6)16(23)13-11-22-19(26-8)18(13)25-7/h9-11,22,24H,1-8H3