[2-tert-butyl-5-methyl-4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]sulfanyl-pyrazol-3-yl] 2,5-bis(chloranyl)benzoate

Systemtic Name: [2-tert-butyl-5-methyl-4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]sulfanyl-pyrazol-3-yl] 2,5-bis(chloranyl)benzoate Openeye Name: [2-tert-butyl-5-methyl-4-(2,3,4,5,6-pentafluorophenyl)sulfanyl-pyrazol-3-yl] 2,5-dichlorobenzoate CAS Name: 2,5-dichlorobenzoic acid [2-tert-butyl-5-methyl-4-[(2,3,4,5,6-pentafluorophenyl)thio]-3-pyrazolyl] ester IUPAC Name: [2-tert-butyl-5-methyl-4-(2,3,4,5,6-pentafluorophenyl)sulfanylpyrazol-3-yl] 2,5-dichlorobenzoate Traditional Name: 2,5-dichlorobenzoic acid [2-tert-butyl-5-methyl-4-[(2,3,4,5,6-pentafluorophenyl)thio]pyrazol-3-yl] ester Formula: C21H15Cl2F5N2O2S MolecularWeight: 525.319016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1SC2=C(C(=C(C(=C2F)F)F)F)F)OC(=O)C3=C(C=CC(=C3)Cl)Cl)C(C)(C)C

Isomeric SMILES

CC1=NN(C(=C1SC2=C(C(=C(C(=C2F)F)F)F)F)OC(=O)C3=C(C=CC(=C3)Cl)Cl)C(C)(C)C

InChI

InChI=1S/C21H15Cl2F5N2O2S/c1-8-17(33-18-15(27)13(25)12(24)14(26)16(18)28)19(30(29-8)21(2,3)4)32-20(31)10-7-9(22)5-6-11(10)23/h5-7H,1-4H3