2-[2-tert-butyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]sulfanylethyl benzoate

Systemtic Name: 2-[2-tert-butyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]sulfanylethyl benzoate Openeye Name: 2-[2-tert-butyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]sulfanylethyl benzoate CAS Name: benzoic acid 2-[[2-tert-butyl-5-(trifluoromethyl)-7-pyrazolo[1,5-a]pyrimidinyl]thio]ethyl ester IUPAC Name: 2-[2-tert-butyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]sulfanylethyl benzoate Traditional Name: benzoic acid 2-[[2-tert-butyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]thio]ethyl ester Formula: C20H20F3N3O2S MolecularWeight: 423.45191

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN2C(=C1)N=C(C=C2SCCOC(=O)C3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1=NN2C(=C1)N=C(C=C2SCCOC(=O)C3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C20H20F3N3O2S/c1-19(2,3)14-11-16-24-15(20(21,22)23)12-17(26(16)25-14)29-10-9-28-18(27)13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3