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

Systemtic Name: (3,5-ditert-butyl-4-oxidanyl-phenyl)-[1-(phenylmethyl)-5-sulfanyl-pyrrol-3-yl]methanone Openeye Name: (1-benzyl-5-sulfanyl-pyrrol-3-yl)-(3,5-ditert-butyl-4-hydroxy-phenyl)methanone CAS Name: (3,5-ditert-butyl-4-hydroxyphenyl)-[5-mercapto-1-(phenylmethyl)-3-pyrrolyl]methanone IUPAC Name: (1-benzyl-5-sulfanylpyrrol-3-yl)-(3,5-ditert-butyl-4-hydroxyphenyl)methanone Traditional Name: (1-benzyl-5-mercapto-pyrrol-3-yl)-(3,5-ditert-butyl-4-hydroxy-phenyl)methanone Formula: C26H31NO2S MolecularWeight: 421.59484

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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)S)CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C26H31NO2S/c1-25(2,3)20-12-18(13-21(24(20)29)26(4,5)6)23(28)19-14-22(30)27(16-19)15-17-10-8-7-9-11-17/h7-14,16,29-30H,15H2,1-6H3