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

Systemtic Name: 4-[4,4-dimethyl-5-oxidanylidene-3-(4-pyrrolidin-1-ylbutyl)-2-sulfanylidene-imidazolidin-1-yl]-2-(trifluoromethyl)benzenecarbonitrile Openeye Name: 4-[4,4-dimethyl-5-oxo-3-(4-pyrrolidin-1-ylbutyl)-2-thioxo-imidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile CAS Name: 4-[4,4-dimethyl-5-oxo-3-[4-(1-pyrrolidinyl)butyl]-2-sulfanylidene-1-imidazolidinyl]-2-(trifluoromethyl)benzonitrile IUPAC Name: 4-[4,4-dimethyl-5-oxo-3-(4-pyrrolidin-1-ylbutyl)-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile Traditional Name: 4-[5-keto-4,4-dimethyl-3-(4-pyrrolidinobutyl)-2-thioxo-imidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile Formula: C21H25F3N4OS MolecularWeight: 438.50961

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C(=S)N1CCCCN2CCCC2)C3=CC(=C(C=C3)C#N)C(F)(F)F)C

Isomeric SMILES

CC1(C(=O)N(C(=S)N1CCCCN2CCCC2)C3=CC(=C(C=C3)C#N)C(F)(F)F)C

InChI

InChI=1S/C21H25F3N4OS/c1-20(2)18(29)28(16-8-7-15(14-25)17(13-16)21(22,23)24)19(30)27(20)12-6-5-11-26-9-3-4-10-26/h7-8,13H,3-6,9-12H2,1-2H3