2,6-ditert-butyl-4-[2,3,5-tris(fluoranyl)-6-pyrrolidin-1-yl-pyridin-4-yl]sulfanyl-phenol

Systemtic Name: 2,6-ditert-butyl-4-[2,3,5-tris(fluoranyl)-6-pyrrolidin-1-yl-pyridin-4-yl]sulfanyl-phenol Openeye Name: 2,6-ditert-butyl-4-[(2,3,5-trifluoro-6-pyrrolidin-1-yl-4-pyridyl)sulfanyl]phenol CAS Name: 2,6-ditert-butyl-4-[[2,3,5-trifluoro-6-(1-pyrrolidinyl)-4-pyridinyl]thio]phenol IUPAC Name: 2,6-ditert-butyl-4-(2,3,5-trifluoro-6-pyrrolidin-1-ylpyridin-4-yl)sulfanylphenol Traditional Name: 2,6-ditert-butyl-4-[(2,3,5-trifluoro-6-pyrrolidino-4-pyridyl)thio]phenol Formula: C23H29F3N2OS MolecularWeight: 438.54937

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SC2=C(C(=NC(=C2F)F)N3CCCC3)F

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SC2=C(C(=NC(=C2F)F)N3CCCC3)F

InChI

InChI=1S/C23H29F3N2OS/c1-22(2,3)14-11-13(12-15(18(14)29)23(4,5)6)30-19-16(24)20(26)27-21(17(19)25)28-9-7-8-10-28/h11-12,29H,7-10H2,1-6H3