[2-tert-butyl-5-methyl-4-(2-nitrophenyl)sulfanyl-pyrazol-3-yl] 2-(trifluoromethyl)benzoate

Systemtic Name: [2-tert-butyl-5-methyl-4-(2-nitrophenyl)sulfanyl-pyrazol-3-yl] 2-(trifluoromethyl)benzoate Openeye Name: [2-tert-butyl-5-methyl-4-(2-nitrophenyl)sulfanyl-pyrazol-3-yl] 2-(trifluoromethyl)benzoate CAS Name: 2-(trifluoromethyl)benzoic acid [2-tert-butyl-5-methyl-4-[(2-nitrophenyl)thio]-3-pyrazolyl] ester IUPAC Name: [2-tert-butyl-5-methyl-4-(2-nitrophenyl)sulfanylpyrazol-3-yl] 2-(trifluoromethyl)benzoate Traditional Name: 2-(trifluoromethyl)benzoic acid [2-tert-butyl-5-methyl-4-[(2-nitrophenyl)thio]pyrazol-3-yl] ester Formula: C22H20F3N3O4S MolecularWeight: 479.47211

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1SC2=CC=CC=C2[N+](=O)[O-])OC(=O)C3=CC=CC=C3C(F)(F)F)C(C)(C)C

Isomeric SMILES

CC1=NN(C(=C1SC2=CC=CC=C2[N+](=O)[O-])OC(=O)C3=CC=CC=C3C(F)(F)F)C(C)(C)C

InChI

InChI=1S/C22H20F3N3O4S/c1-13-18(33-17-12-8-7-11-16(17)28(30)31)19(27(26-13)21(2,3)4)32-20(29)14-9-5-6-10-15(14)22(23,24)25/h5-12H,1-4H3