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

Systemtic Name: (3,5-ditert-butyl-4-oxidanyl-phenyl)-[5-ethylsulfanyl-1-(phenylmethyl)pyrrol-3-yl]methanone Openeye Name: (1-benzyl-5-ethylsulfanyl-pyrrol-3-yl)-(3,5-ditert-butyl-4-hydroxy-phenyl)methanone CAS Name: (3,5-ditert-butyl-4-hydroxyphenyl)-[5-(ethylthio)-1-(phenylmethyl)-3-pyrrolyl]methanone IUPAC Name: (1-benzyl-5-ethylsulfanylpyrrol-3-yl)-(3,5-ditert-butyl-4-hydroxyphenyl)methanone Traditional Name: [1-benzyl-5-(ethylthio)pyrrol-3-yl]-(3,5-ditert-butyl-4-hydroxy-phenyl)methanone Formula: C28H35NO2S MolecularWeight: 449.648

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC(=CN1CC2=CC=CC=C2)C(=O)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCSC1=CC(=CN1CC2=CC=CC=C2)C(=O)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C28H35NO2S/c1-8-32-24-16-21(18-29(24)17-19-12-10-9-11-13-19)25(30)20-14-22(27(2,3)4)26(31)23(15-20)28(5,6)7/h9-16,18,31H,8,17H2,1-7H3