[4-[4-[[4,4-bis(fluoranyl)cyclohexyl]carbamothioyl]-2-(2,4-dichlorophenyl)-5-methyl-imidazol-1-yl]phenyl] 3,3,3-tris(fluoranyl)propane-1-sulfonate

Systemtic Name: [4-[4-[[4,4-bis(fluoranyl)cyclohexyl]carbamothioyl]-2-(2,4-dichlorophenyl)-5-methyl-imidazol-1-yl]phenyl] 3,3,3-tris(fluoranyl)propane-1-sulfonate Openeye Name: [4-[2-(2,4-dichlorophenyl)-4-[(4,4-difluorocyclohexyl)carbamothioyl]-5-methyl-imidazol-1-yl]phenyl] 3,3,3-trifluoropropane-1-sulfonate CAS Name: 3,3,3-trifluoro-1-propanesulfonic acid IUPAC Name: [4-[2-(2,4-dichlorophenyl)-4-[(4,4-difluorocyclohexyl)carbamothioyl]-5-methylimidazol-1-yl]phenyl] 3,3,3-trifluoropropane-1-sulfonate Traditional Name: 3,3,3-trifluoropropane-1-sulfonic acid [4-[2-(2,4-dichlorophenyl)-4-[(4,4-difluorocyclohexyl)thiocarbamoyl]-5-methyl-imidazol-1-yl]phenyl] ester Formula: C26H24Cl2F5N3O3S2 MolecularWeight: 656.515076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N1C2=CC=C(C=C2)OS(=O)(=O)CCC(F)(F)F)C3=C(C=C(C=C3)Cl)Cl)C(=S)NC4CCC(CC4)(F)F

Isomeric SMILES

CC1=C(N=C(N1C2=CC=C(C=C2)OS(=O)(=O)CCC(F)(F)F)C3=C(C=C(C=C3)Cl)Cl)C(=S)NC4CCC(CC4)(F)F

InChI

InChI=1S/C26H24Cl2F5N3O3S2/c1-15-22(24(40)34-17-8-10-25(29,30)11-9-17)35-23(20-7-2-16(27)14-21(20)28)36(15)18-3-5-19(6-4-18)39-41(37,38)13-12-26(31,32)33/h2-7,14,17H,8-13H2,1H3,(H,34,40)