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

Systemtic Name: (3,5-ditert-butyl-4-oxidanyl-phenyl)-(5-methylsulfanyl-1-methylsulfinyl-pyrrol-3-yl)methanone Openeye Name: (3,5-ditert-butyl-4-hydroxy-phenyl)-(5-methylsulfanyl-1-methylsulfinyl-pyrrol-3-yl)methanone CAS Name: (3,5-ditert-butyl-4-hydroxyphenyl)-[1-methylsulfinyl-5-(methylthio)-3-pyrrolyl]methanone IUPAC Name: (3,5-ditert-butyl-4-hydroxyphenyl)-(5-methylsulfanyl-1-methylsulfinylpyrrol-3-yl)methanone Traditional Name: (3,5-ditert-butyl-4-hydroxy-phenyl)-[1-methylsulfinyl-5-(methylthio)pyrrol-3-yl]methanone Formula: C21H29NO3S2 MolecularWeight: 407.58986

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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)S(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO3S2/c1-20(2,3)15-9-13(10-16(19(15)24)21(4,5)6)18(23)14-11-17(26-7)22(12-14)27(8)25/h9-12,24H,1-8H3