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

Systemtic Name: 4-[4,4-dimethyl-5-oxidanylidene-3-(5-pyrrolidin-1-ylpentyl)-2-sulfanylidene-imidazolidin-1-yl]-2-(trifluoromethyl)benzenecarbonitrile Openeye Name: 4-[4,4-dimethyl-5-oxo-3-(5-pyrrolidin-1-ylpentyl)-2-thioxo-imidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile CAS Name: 4-[4,4-dimethyl-5-oxo-3-[5-(1-pyrrolidinyl)pentyl]-2-sulfanylidene-1-imidazolidinyl]-2-(trifluoromethyl)benzonitrile IUPAC Name: 4-[4,4-dimethyl-5-oxo-3-(5-pyrrolidin-1-ylpentyl)-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile Traditional Name: 4-[5-keto-4,4-dimethyl-3-(5-pyrrolidinopentyl)-2-thioxo-imidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile Formula: C22H27F3N4OS MolecularWeight: 452.53619

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C(=S)N1CCCCCN2CCCC2)C3=CC(=C(C=C3)C#N)C(F)(F)F)C

Isomeric SMILES

CC1(C(=O)N(C(=S)N1CCCCCN2CCCC2)C3=CC(=C(C=C3)C#N)C(F)(F)F)C

InChI

InChI=1S/C22H27F3N4OS/c1-21(2)19(30)29(17-9-8-16(15-26)18(14-17)22(23,24)25)20(31)28(21)13-5-3-4-10-27-11-6-7-12-27/h8-9,14H,3-7,10-13H2,1-2H3