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

Systemtic Name: 2-[2-tert-butyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]sulfanylethyl thiophene-2-carboxylate Openeye Name: 2-[2-tert-butyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]sulfanylethyl thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic 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 thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid 2-[[2-tert-butyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]thio]ethyl ester Formula: C18H18F3N3O2S2 MolecularWeight: 429.47963

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN2C(=C1)N=C(C=C2SCCOC(=O)C3=CC=CS3)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1=NN2C(=C1)N=C(C=C2SCCOC(=O)C3=CC=CS3)C(F)(F)F

InChI

InChI=1S/C18H18F3N3O2S2/c1-17(2,3)12-9-14-22-13(18(19,20)21)10-15(24(14)23-12)28-8-6-26-16(25)11-5-4-7-27-11/h4-5,7,9-10H,6,8H2,1-3H3