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

Systemtic Name: [2-tert-butyl-5-methyl-4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]sulfanyl-pyrazol-3-yl] 4-chloranylbenzoate Openeye Name: [2-tert-butyl-5-methyl-4-(2,3,4,5,6-pentafluorophenyl)sulfanyl-pyrazol-3-yl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic 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] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [2-tert-butyl-5-methyl-4-[(2,3,4,5,6-pentafluorophenyl)thio]pyrazol-3-yl] ester Formula: C21H16ClF5N2O2S MolecularWeight: 490.873956

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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=CC=C(C=C3)Cl)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H16ClF5N2O2S/c1-9-17(32-18-15(26)13(24)12(23)14(25)16(18)27)19(29(28-9)21(2,3)4)31-20(30)10-5-7-11(22)8-6-10/h5-8H,1-4H3