4-[4,4-dimethyl-5-oxidanylidene-3-(8-oxidanyloctyl)-2-sulfanylidene-imidazolidin-1-yl]-2-(trifluoromethyl)benzenecarbonitrile

Systemtic Name: 4-[4,4-dimethyl-5-oxidanylidene-3-(8-oxidanyloctyl)-2-sulfanylidene-imidazolidin-1-yl]-2-(trifluoromethyl)benzenecarbonitrile Openeye Name: 4-[3-(8-hydroxyoctyl)-4,4-dimethyl-5-oxo-2-thioxo-imidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile CAS Name: 4-[3-(8-hydroxyoctyl)-4,4-dimethyl-5-oxo-2-sulfanylidene-1-imidazolidinyl]-2-(trifluoromethyl)benzonitrile IUPAC Name: 4-[3-(8-hydroxyoctyl)-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile Traditional Name: 4-[3-(8-hydroxyoctyl)-5-keto-4,4-dimethyl-2-thioxo-imidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile Formula: C21H26F3N3O2S MolecularWeight: 441.51025

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C(=S)N1CCCCCCCCO)C2=CC(=C(C=C2)C#N)C(F)(F)F)C

Isomeric SMILES

CC1(C(=O)N(C(=S)N1CCCCCCCCO)C2=CC(=C(C=C2)C#N)C(F)(F)F)C

InChI

InChI=1S/C21H26F3N3O2S/c1-20(2)18(29)27(16-10-9-15(14-25)17(13-16)21(22,23)24)19(30)26(20)11-7-5-3-4-6-8-12-28/h9-10,13,28H,3-8,11-12H2,1-2H3