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

Systemtic Name: 4-[4,4-dimethyl-5-oxidanylidene-3-(2-piperazin-1-ylethyl)-2-sulfanylidene-imidazolidin-1-yl]-2-(trifluoromethyl)benzenecarbonitrile Openeye Name: 4-[4,4-dimethyl-5-oxo-3-(2-piperazin-1-ylethyl)-2-thioxo-imidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile CAS Name: 4-[4,4-dimethyl-5-oxo-3-[2-(1-piperazinyl)ethyl]-2-sulfanylidene-1-imidazolidinyl]-2-(trifluoromethyl)benzonitrile IUPAC Name: 4-[4,4-dimethyl-5-oxo-3-(2-piperazin-1-ylethyl)-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile Traditional Name: 4-[5-keto-4,4-dimethyl-3-(2-piperazinoethyl)-2-thioxo-imidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile Formula: C19H22F3N5OS MolecularWeight: 425.47109

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C(=S)N1CCN2CCNCC2)C3=CC(=C(C=C3)C#N)C(F)(F)F)C

Isomeric SMILES

CC1(C(=O)N(C(=S)N1CCN2CCNCC2)C3=CC(=C(C=C3)C#N)C(F)(F)F)C

InChI

InChI=1S/C19H22F3N5OS/c1-18(2)16(28)27(14-4-3-13(12-23)15(11-14)19(20,21)22)17(29)26(18)10-9-25-7-5-24-6-8-25/h3-4,11,24H,5-10H2,1-2H3