8-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxidanylidene-2-sulfanylidene-imidazolidin-1-yl]octyl 4-methylbenzenesulfonate

Systemtic Name: 8-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxidanylidene-2-sulfanylidene-imidazolidin-1-yl]octyl 4-methylbenzenesulfonate Openeye Name: 8-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-thioxo-imidazolidin-1-yl]octyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 8-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylidene-1-imidazolidinyl]octyl ester IUPAC Name: 8-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]octyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 8-[3-[4-cyano-3-(trifluoromethyl)phenyl]-4-keto-5,5-dimethyl-2-thioxo-imidazolidin-1-yl]octyl ester Formula: C28H32F3N3O4S2 MolecularWeight: 595.69659

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCCCN2C(=S)N(C(=O)C2(C)C)C3=CC(=C(C=C3)C#N)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCCCN2C(=S)N(C(=O)C2(C)C)C3=CC(=C(C=C3)C#N)C(F)(F)F

InChI

InChI=1S/C28H32F3N3O4S2/c1-20-10-14-23(15-11-20)40(36,37)38-17-9-7-5-4-6-8-16-33-26(39)34(25(35)27(33,2)3)22-13-12-21(19-32)24(18-22)28(29,30)31/h10-15,18H,4-9,16-17H2,1-3H3