1-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanone Openeye Name: 1-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanone CAS Name: 1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[(4,6-dimethyl-2-pyrimidinyl)thio]ethanone IUPAC Name: 1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanone Traditional Name: 1-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-[(4,6-dimethylpyrimidin-2-yl)thio]ethanone Formula: C22H30N2O2S MolecularWeight: 386.5508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C

InChI

InChI=1S/C22H30N2O2S/c1-13-9-14(2)24-20(23-13)27-12-18(25)15-10-16(21(3,4)5)19(26)17(11-15)22(6,7)8/h9-11,26H,12H2,1-8H3