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

Systemtic Name: 2-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylethanoyl]-5-phenyl-4H-pyrazol-3-one Openeye Name: 2-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanylacetyl]-5-phenyl-4H-pyrazol-3-one CAS Name: 2-[2-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]-1-oxoethyl]-5-phenyl-4H-pyrazol-3-one IUPAC Name: 2-[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylacetyl]-5-phenyl-4H-pyrazol-3-one Traditional Name: 2-[2-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]acetyl]-5-phenyl-2-pyrazolin-3-one Formula: C25H30N2O3S MolecularWeight: 438.5823

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCC(=O)N2C(=O)CC(=N2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCC(=O)N2C(=O)CC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C25H30N2O3S/c1-24(2,3)18-12-17(13-19(23(18)30)25(4,5)6)31-15-22(29)27-21(28)14-20(26-27)16-10-8-7-9-11-16/h7-13,30H,14-15H2,1-6H3