5-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)pentan-1-one

Systemtic Name: 5-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)pentan-1-one Openeye Name: 5-(3,5-ditert-butyl-4-hydroxy-phenyl)-1-(2-thioxothiazolidin-3-yl)pentan-1-one CAS Name: 5-(3,5-ditert-butyl-4-hydroxyphenyl)-1-(2-sulfanylidene-3-thiazolidinyl)-1-pentanone IUPAC Name: 5-(3,5-ditert-butyl-4-hydroxyphenyl)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)pentan-1-one Traditional Name: 5-(3,5-ditert-butyl-4-hydroxy-phenyl)-1-(2-thioxothiazolidin-3-yl)pentan-1-one Formula: C22H33NO2S2 MolecularWeight: 407.63292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCCCC(=O)N2CCSC2=S

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCCCC(=O)N2CCSC2=S

InChI

InChI=1S/C22H33NO2S2/c1-21(2,3)16-13-15(14-17(19(16)25)22(4,5)6)9-7-8-10-18(24)23-11-12-27-20(23)26/h13-14,25H,7-12H2,1-6H3