(3,5-ditert-butyl-4-oxidanyl-phenyl)-[2,4,5-tris(ethylsulfanyl)-1H-pyrrol-3-yl]methanone

Systemtic Name: (3,5-ditert-butyl-4-oxidanyl-phenyl)-[2,4,5-tris(ethylsulfanyl)-1H-pyrrol-3-yl]methanone Openeye Name: (3,5-ditert-butyl-4-hydroxy-phenyl)-[2,4,5-tris(ethylsulfanyl)-1H-pyrrol-3-yl]methanone CAS Name: (3,5-ditert-butyl-4-hydroxyphenyl)-[2,4,5-tris(ethylthio)-1H-pyrrol-3-yl]methanone IUPAC Name: (3,5-ditert-butyl-4-hydroxyphenyl)-[2,4,5-tris(ethylsulfanyl)-1H-pyrrol-3-yl]methanone Traditional Name: (3,5-ditert-butyl-4-hydroxy-phenyl)-[2,4,5-tris(ethylthio)-1H-pyrrol-3-yl]methanone Formula: C25H37NO2S3 MolecularWeight: 479.76178

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(NC(=C1C(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)SCC)SCC

Isomeric SMILES

CCSC1=C(NC(=C1C(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)SCC)SCC

InChI

InChI=1S/C25H37NO2S3/c1-10-29-21-18(22(30-11-2)26-23(21)31-12-3)19(27)15-13-16(24(4,5)6)20(28)17(14-15)25(7,8)9/h13-14,26,28H,10-12H2,1-9H3