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

Systemtic Name: [4-[4-[[4,4-bis(fluoranyl)cyclohexyl]carbamothioyl]-2-(2,4-dichlorophenyl)-5-methyl-imidazol-1-yl]phenyl] 3-fluoranylpropane-1-sulfonate Openeye Name: [4-[2-(2,4-dichlorophenyl)-4-[(4,4-difluorocyclohexyl)carbamothioyl]-5-methyl-imidazol-1-yl]phenyl] 3-fluoropropane-1-sulfonate CAS Name: 3-fluoro-1-propanesulfonic acid IUPAC Name: [4-[2-(2,4-dichlorophenyl)-4-[(4,4-difluorocyclohexyl)carbamothioyl]-5-methylimidazol-1-yl]phenyl] 3-fluoropropane-1-sulfonate Traditional Name: 3-fluoropropane-1-sulfonic acid [4-[2-(2,4-dichlorophenyl)-4-[(4,4-difluorocyclohexyl)thiocarbamoyl]-5-methyl-imidazol-1-yl]phenyl] ester Formula: C26H26Cl2F3N3O3S2 MolecularWeight: 620.53415

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H26Cl2F3N3O3S2/c1-16-23(25(38)32-18-9-11-26(30,31)12-10-18)33-24(21-8-3-17(27)15-22(21)28)34(16)19-4-6-20(7-5-19)37-39(35,36)14-2-13-29/h3-8,15,18H,2,9-14H2,1H3,(H,32,38)