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

Systemtic Name: methyl 4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxidanylidene-2-sulfanylidene-imidazolidin-1-yl]benzoate Openeye Name: methyl 4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-thioxo-imidazolidin-1-yl]benzoate CAS Name: 4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylidene-1-imidazolidinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzoate Traditional Name: 4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-4-keto-5,5-dimethyl-2-thioxo-imidazolidin-1-yl]benzoic acid methyl ester Formula: C21H16F3N3O3S MolecularWeight: 447.43025

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C(=S)N1C2=CC=C(C=C2)C(=O)OC)C3=CC(=C(C=C3)C#N)C(F)(F)F)C

Isomeric SMILES

CC1(C(=O)N(C(=S)N1C2=CC=C(C=C2)C(=O)OC)C3=CC(=C(C=C3)C#N)C(F)(F)F)C

InChI

InChI=1S/C21H16F3N3O3S/c1-20(2)18(29)26(15-9-6-13(11-25)16(10-15)21(22,23)24)19(31)27(20)14-7-4-12(5-8-14)17(28)30-3/h4-10H,1-3H3