ethyl 4-[4-azanylidene-3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2-sulfanylidene-imidazolidin-1-yl]butanoate

Systemtic Name: ethyl 4-[4-azanylidene-3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2-sulfanylidene-imidazolidin-1-yl]butanoate Openeye Name: ethyl 4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-4-imino-5,5-dimethyl-2-thioxo-imidazolidin-1-yl]butanoate CAS Name: 4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-4-imino-5,5-dimethyl-2-sulfanylidene-1-imidazolidinyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-4-imino-5,5-dimethyl-2-sulfanylideneimidazolidin-1-yl]butanoate Traditional Name: 4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-4-imino-5,5-dimethyl-2-thioxo-imidazolidin-1-yl]butyric acid ethyl ester Formula: C19H21F3N4O2S MolecularWeight: 426.45585

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN1C(=S)N(C(=N)C1(C)C)C2=CC(=C(C=C2)C#N)C(F)(F)F

Isomeric SMILES

CCOC(=O)CCCN1C(=S)N(C(=N)C1(C)C)C2=CC(=C(C=C2)C#N)C(F)(F)F

InChI

InChI=1S/C19H21F3N4O2S/c1-4-28-15(27)6-5-9-25-17(29)26(16(24)18(25,2)3)13-8-7-12(11-23)14(10-13)19(20,21)22/h7-8,10,24H,4-6,9H2,1-3H3