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

Systemtic Name: [2-tert-butyl-5-methyl-4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]sulfanyl-pyrazol-3-yl] 3,4-dimethoxybenzoate Openeye Name: [2-tert-butyl-5-methyl-4-(2,3,4,5,6-pentafluorophenyl)sulfanyl-pyrazol-3-yl] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic 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] 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [2-tert-butyl-5-methyl-4-[(2,3,4,5,6-pentafluorophenyl)thio]pyrazol-3-yl] ester Formula: C23H21F5N2O4S MolecularWeight: 516.480856

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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)OC)OC)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)OC)OC)C(C)(C)C

InChI

InChI=1S/C23H21F5N2O4S/c1-10-19(35-20-17(27)15(25)14(24)16(26)18(20)28)21(30(29-10)23(2,3)4)34-22(31)11-7-8-12(32-5)13(9-11)33-6/h7-9H,1-6H3