[4-[2-(2,4-dichlorophenyl)-4-methyl-5-[[5-(trifluoromethyl)pyridin-2-yl]carbamothioyl]pyrazol-3-yl]phenyl] 3-fluoranylpropane-1-sulfonate

Systemtic Name: [4-[2-(2,4-dichlorophenyl)-4-methyl-5-[[5-(trifluoromethyl)pyridin-2-yl]carbamothioyl]pyrazol-3-yl]phenyl] 3-fluoranylpropane-1-sulfonate Openeye Name: [4-[2-(2,4-dichlorophenyl)-4-methyl-5-[[5-(trifluoromethyl)-2-pyridyl]carbamothioyl]pyrazol-3-yl]phenyl] 3-fluoropropane-1-sulfonate CAS Name: 3-fluoro-1-propanesulfonic acid IUPAC Name: [4-[2-(2,4-dichlorophenyl)-4-methyl-5-[[5-(trifluoromethyl)pyridin-2-yl]carbamothioyl]pyrazol-3-yl]phenyl] 3-fluoropropane-1-sulfonate Traditional Name: 3-fluoropropane-1-sulfonic acid [4-[2-(2,4-dichlorophenyl)-4-methyl-5-[[5-(trifluoromethyl)-2-pyridyl]thiocarbamoyl]pyrazol-3-yl]phenyl] ester Formula: C26H20Cl2F4N4O3S2 MolecularWeight: 647.491613

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1C(=S)NC2=NC=C(C=C2)C(F)(F)F)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)OS(=O)(=O)CCCF

Isomeric SMILES

CC1=C(N(N=C1C(=S)NC2=NC=C(C=C2)C(F)(F)F)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)OS(=O)(=O)CCCF

InChI

InChI=1S/C26H20Cl2F4N4O3S2/c1-15-23(25(40)34-22-10-5-17(14-33-22)26(30,31)32)35-36(21-9-6-18(27)13-20(21)28)24(15)16-3-7-19(8-4-16)39-41(37,38)12-2-11-29/h3-10,13-14H,2,11-12H2,1H3,(H,33,34,40)