5-[2-(3,5-ditert-butyl-4-fluoranyl-phenyl)sulfanylethyl]-2-methyl-pyridine; ethanedioic acid

Systemtic Name: 5-[2-(3,5-ditert-butyl-4-fluoranyl-phenyl)sulfanylethyl]-2-methyl-pyridine; ethanedioic acid Openeye Name: 5-[2-(3,5-ditert-butyl-4-fluoro-phenyl)sulfanylethyl]-2-methyl-pyridine; oxalic acid CAS Name: 5-[2-[(3,5-ditert-butyl-4-fluorophenyl)thio]ethyl]-2-methylpyridine; oxalic acid IUPAC Name: 5-[2-(3,5-ditert-butyl-4-fluorophenyl)sulfanylethyl]-2-methylpyridine; oxalic acid Traditional Name: 5-[2-[(3,5-ditert-butyl-4-fluoro-phenyl)thio]ethyl]-2-methyl-pyridine; oxalic acid Formula: C24H32FNO4S MolecularWeight: 449.578583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)CCSC2=CC(=C(C(=C2)C(C)(C)C)F)C(C)(C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=NC=C(C=C1)CCSC2=CC(=C(C(=C2)C(C)(C)C)F)C(C)(C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H30FNS.C2H2O4/c1-15-8-9-16(14-24-15)10-11-25-17-12-18(21(2,3)4)20(23)19(13-17)22(5,6)7;3-1(4)2(5)6/h8-9,12-14H,10-11H2,1-7H3;(H,3,4)(H,5,6)