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

Systemtic Name: 2-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanyl-1-(2,5-dimethylimidazol-1-yl)ethanone Openeye Name: 2-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanyl-1-(2,5-dimethylimidazol-1-yl)ethanone CAS Name: 2-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]-1-(2,5-dimethyl-1-imidazolyl)ethanone IUPAC Name: 2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanyl-1-(2,5-dimethylimidazol-1-yl)ethanone Traditional Name: 2-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]-1-(2,5-dimethylimidazol-1-yl)ethanone Formula: C21H30N2O2S MolecularWeight: 374.5401

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N1C(=O)CSC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C

Isomeric SMILES

CC1=CN=C(N1C(=O)CSC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C

InChI

InChI=1S/C21H30N2O2S/c1-13-11-22-14(2)23(13)18(24)12-26-15-9-16(20(3,4)5)19(25)17(10-15)21(6,7)8/h9-11,25H,12H2,1-8H3