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

Systemtic Name: methyl 2-[2-tert-butyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]sulfanylethanoate Openeye Name: methyl 2-[2-tert-butyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]sulfanylacetate CAS Name: 2-[[2-tert-butyl-5-(trifluoromethyl)-7-pyrazolo[1,5-a]pyrimidinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[2-tert-butyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]sulfanylacetate Traditional Name: 2-[[2-tert-butyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]thio]acetic acid methyl ester Formula: C14H16F3N3O2S MolecularWeight: 347.35595

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN2C(=C1)N=C(C=C2SCC(=O)OC)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1=NN2C(=C1)N=C(C=C2SCC(=O)OC)C(F)(F)F

InChI

InChI=1S/C14H16F3N3O2S/c1-13(2,3)8-5-10-18-9(14(15,16)17)6-11(20(10)19-8)23-7-12(21)22-4/h5-6H,7H2,1-4H3