2-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)thian-2-yl]sulfanyl-N-(pyridin-2-ylmethyl)ethanamide

Systemtic Name: 2-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)thian-2-yl]sulfanyl-N-(pyridin-2-ylmethyl)ethanamide Openeye Name: 2-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)tetrahydrothiopyran-2-yl]sulfanyl-N-(2-pyridylmethyl)acetamide CAS Name: 2-[[2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-thianyl]thio]-N-(2-pyridinylmethyl)acetamide IUPAC Name: 2-[2-(3,5-ditert-butyl-4-hydroxyphenyl)thian-2-yl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide Traditional Name: 2-[[2-(3,5-ditert-butyl-4-hydroxy-phenyl)tetrahydrothiopyran-2-yl]thio]-N-(2-pyridylmethyl)acetamide Formula: C27H38N2O2S2 MolecularWeight: 486.73282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2(CCCCS2)SCC(=O)NCC3=CC=CC=N3

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2(CCCCS2)SCC(=O)NCC3=CC=CC=N3

InChI

InChI=1S/C27H38N2O2S2/c1-25(2,3)21-15-19(16-22(24(21)31)26(4,5)6)27(12-8-10-14-32-27)33-18-23(30)29-17-20-11-7-9-13-28-20/h7,9,11,13,15-16,31H,8,10,12,14,17-18H2,1-6H3,(H,29,30)