3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1-(1-methyl-5-sulfanyl-pyrrol-3-yl)propan-1-one

Systemtic Name: 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1-(1-methyl-5-sulfanyl-pyrrol-3-yl)propan-1-one Openeye Name: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)-1-(1-methyl-5-sulfanyl-pyrrol-3-yl)propan-1-one CAS Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-(5-mercapto-1-methyl-3-pyrrolyl)-1-propanone IUPAC Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-(1-methyl-5-sulfanylpyrrol-3-yl)propan-1-one Traditional Name: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)-1-(5-mercapto-1-methyl-pyrrol-3-yl)propan-1-one Formula: C22H31NO2S MolecularWeight: 373.55204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)C2=CN(C(=C2)S)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)C2=CN(C(=C2)S)C

InChI

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