9-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxidanylidene-2-sulfanylidene-imidazolidin-1-yl]nonanoic acid

Systemtic Name: 9-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxidanylidene-2-sulfanylidene-imidazolidin-1-yl]nonanoic acid Openeye Name: 9-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-thioxo-imidazolidin-1-yl]nonanoic acid CAS Name: 9-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylidene-1-imidazolidinyl]nonanoic acid IUPAC Name: 9-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]nonanoic acid Traditional Name: 9-[3-[4-cyano-3-(trifluoromethyl)phenyl]-4-keto-5,5-dimethyl-2-thioxo-imidazolidin-1-yl]pelargonic acid Formula: C22H26F3N3O3S MolecularWeight: 469.52035

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C(=S)N1CCCCCCCCC(=O)O)C2=CC(=C(C=C2)C#N)C(F)(F)F)C

Isomeric SMILES

CC1(C(=O)N(C(=S)N1CCCCCCCCC(=O)O)C2=CC(=C(C=C2)C#N)C(F)(F)F)C

InChI

InChI=1S/C22H26F3N3O3S/c1-21(2)19(31)28(16-11-10-15(14-26)17(13-16)22(23,24)25)20(32)27(21)12-8-6-4-3-5-7-9-18(29)30/h10-11,13H,3-9,12H2,1-2H3,(H,29,30)