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

Systemtic Name: methyl 3-[4-azanylidene-3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2-sulfanylidene-imidazolidin-1-yl]propanoate Openeye Name: methyl 3-[3-[4-cyano-3-(trifluoromethyl)phenyl]-4-imino-5,5-dimethyl-2-thioxo-imidazolidin-1-yl]propanoate CAS Name: 3-[3-[4-cyano-3-(trifluoromethyl)phenyl]-4-imino-5,5-dimethyl-2-sulfanylidene-1-imidazolidinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[3-[4-cyano-3-(trifluoromethyl)phenyl]-4-imino-5,5-dimethyl-2-sulfanylideneimidazolidin-1-yl]propanoate Traditional Name: 3-[3-[4-cyano-3-(trifluoromethyl)phenyl]-4-imino-5,5-dimethyl-2-thioxo-imidazolidin-1-yl]propionic acid methyl ester Formula: C17H17F3N4O2S MolecularWeight: 398.40269

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=N)N(C(=S)N1CCC(=O)OC)C2=CC(=C(C=C2)C#N)C(F)(F)F)C

Isomeric SMILES

CC1(C(=N)N(C(=S)N1CCC(=O)OC)C2=CC(=C(C=C2)C#N)C(F)(F)F)C

InChI

InChI=1S/C17H17F3N4O2S/c1-16(2)14(22)24(15(27)23(16)7-6-13(25)26-3)11-5-4-10(9-21)12(8-11)17(18,19)20/h4-5,8,22H,6-7H2,1-3H3