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

Systemtic Name: [4-[2-(2,4-dichlorophenyl)-5-methyl-4-[(2-oxidanylcyclohexyl)carbamothioyl]imidazol-1-yl]phenyl] 3,3,3-tris(fluoranyl)propane-1-sulfonate Openeye Name: [4-[2-(2,4-dichlorophenyl)-4-[(2-hydroxycyclohexyl)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-[(2-hydroxycyclohexyl)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-[(2-hydroxycyclohexyl)thiocarbamoyl]-5-methyl-imidazol-1-yl]phenyl] ester Formula: C26H26Cl2F3N3O4S2 MolecularWeight: 636.53355

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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)NC4CCCCC4O

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)NC4CCCCC4O

InChI

InChI=1S/C26H26Cl2F3N3O4S2/c1-15-23(25(39)32-21-4-2-3-5-22(21)35)33-24(19-11-6-16(27)14-20(19)28)34(15)17-7-9-18(10-8-17)38-40(36,37)13-12-26(29,30)31/h6-11,14,21-22,35H,2-5,12-13H2,1H3,(H,32,39)