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

Systemtic Name: (3,5-ditert-butyl-4-oxidanyl-phenyl)-[5-methylsulfanyl-1-(phenylmethyl)pyrrol-3-yl]methanone Openeye Name: (1-benzyl-5-methylsulfanyl-pyrrol-3-yl)-(3,5-ditert-butyl-4-hydroxy-phenyl)methanone CAS Name: (3,5-ditert-butyl-4-hydroxyphenyl)-[5-(methylthio)-1-(phenylmethyl)-3-pyrrolyl]methanone IUPAC Name: (1-benzyl-5-methylsulfanylpyrrol-3-yl)-(3,5-ditert-butyl-4-hydroxyphenyl)methanone Traditional Name: [1-benzyl-5-(methylthio)pyrrol-3-yl]-(3,5-ditert-butyl-4-hydroxy-phenyl)methanone Formula: C27H33NO2S MolecularWeight: 435.62142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)C2=CN(C(=C2)SC)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)C2=CN(C(=C2)SC)CC3=CC=CC=C3

InChI

InChI=1S/C27H33NO2S/c1-26(2,3)21-13-19(14-22(25(21)30)27(4,5)6)24(29)20-15-23(31-7)28(17-20)16-18-11-9-8-10-12-18/h8-15,17,30H,16H2,1-7H3