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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=N)N(C(=S)N1CCCCC(=O)OC)C2=CC(=C(C=C2)C#N)C(F)(F)F)C

Isomeric SMILES

CC1(C(=N)N(C(=S)N1CCCCC(=O)OC)C2=CC(=C(C=C2)C#N)C(F)(F)F)C

InChI

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