4-[(1R)-2-(1H-benzimidazol-2-ylsulfanyl)-1-oxidanyl-ethyl]-2,6-ditert-butyl-phenol

Systemtic Name: 4-[(1R)-2-(1H-benzimidazol-2-ylsulfanyl)-1-oxidanyl-ethyl]-2,6-ditert-butyl-phenol Openeye Name: 4-[(1R)-2-(1H-benzimidazol-2-ylsulfanyl)-1-hydroxy-ethyl]-2,6-ditert-butyl-phenol CAS Name: 4-[(1R)-2-(1H-benzimidazol-2-ylthio)-1-hydroxyethyl]-2,6-ditert-butylphenol IUPAC Name: 4-[(1R)-2-(1H-benzimidazol-2-ylsulfanyl)-1-hydroxyethyl]-2,6-ditert-butylphenol Traditional Name: 4-[(1R)-2-(1H-benzimidazol-2-ylthio)-1-hydroxy-ethyl]-2,6-ditert-butyl-phenol Formula: C23H30N2O2S MolecularWeight: 398.5615

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(CSC2=NC3=CC=CC=C3N2)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)[C@H](CSC2=NC3=CC=CC=C3N2)O

InChI

InChI=1S/C23H30N2O2S/c1-22(2,3)15-11-14(12-16(20(15)27)23(4,5)6)19(26)13-28-21-24-17-9-7-8-10-18(17)25-21/h7-12,19,26-27H,13H2,1-6H3,(H,24,25)/t19-/m0/s1