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

Systemtic Name: (3,5-ditert-butyl-4-oxidanyl-phenyl)-(5-ethylsulfanyl-1-methyl-pyrrol-3-yl)methanone Openeye Name: (3,5-ditert-butyl-4-hydroxy-phenyl)-(5-ethylsulfanyl-1-methyl-pyrrol-3-yl)methanone CAS Name: (3,5-ditert-butyl-4-hydroxyphenyl)-[5-(ethylthio)-1-methyl-3-pyrrolyl]methanone IUPAC Name: (3,5-ditert-butyl-4-hydroxyphenyl)-(5-ethylsulfanyl-1-methylpyrrol-3-yl)methanone Traditional Name: (3,5-ditert-butyl-4-hydroxy-phenyl)-[5-(ethylthio)-1-methyl-pyrrol-3-yl]methanone Formula: C22H31NO2S MolecularWeight: 373.55204

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC(=CN1C)C(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCSC1=CC(=CN1C)C(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C22H31NO2S/c1-9-26-18-12-15(13-23(18)8)19(24)14-10-16(21(2,3)4)20(25)17(11-14)22(5,6)7/h10-13,25H,9H2,1-8H3