2-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylethanoyl]-5-methyl-4H-pyrazol-3-one

Systemtic Name: 2-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylethanoyl]-5-methyl-4H-pyrazol-3-one Openeye Name: 2-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanylacetyl]-5-methyl-4H-pyrazol-3-one CAS Name: 2-[2-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]-1-oxoethyl]-5-methyl-4H-pyrazol-3-one IUPAC Name: 2-[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylacetyl]-5-methyl-4H-pyrazol-3-one Traditional Name: 2-[2-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]acetyl]-5-methyl-2-pyrazolin-3-one Formula: C20H28N2O3S MolecularWeight: 376.51292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1)C(=O)CSC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CC1=NN(C(=O)C1)C(=O)CSC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C20H28N2O3S/c1-12-8-16(23)22(21-12)17(24)11-26-13-9-14(19(2,3)4)18(25)15(10-13)20(5,6)7/h9-10,25H,8,11H2,1-7H3