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

Systemtic Name: (3,5-ditert-butyl-4-oxidanyl-phenyl)-(5-ethylsulfanyl-1H-pyrrol-3-yl)methanone Openeye Name: (3,5-ditert-butyl-4-hydroxy-phenyl)-(5-ethylsulfanyl-1H-pyrrol-3-yl)methanone CAS Name: (3,5-ditert-butyl-4-hydroxyphenyl)-[5-(ethylthio)-1H-pyrrol-3-yl]methanone IUPAC Name: (3,5-ditert-butyl-4-hydroxyphenyl)-(5-ethylsulfanyl-1H-pyrrol-3-yl)methanone Traditional Name: (3,5-ditert-butyl-4-hydroxy-phenyl)-[5-(ethylthio)-1H-pyrrol-3-yl]methanone Formula: C21H29NO2S MolecularWeight: 359.52546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC(=CN1)C(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCSC1=CC(=CN1)C(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C21H29NO2S/c1-8-25-17-11-14(12-22-17)18(23)13-9-15(20(2,3)4)19(24)16(10-13)21(5,6)7/h9-12,22,24H,8H2,1-7H3