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

Systemtic Name: 2-[2-tert-butyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]sulfanylethanol Openeye Name: 2-[2-tert-butyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]sulfanylethanol CAS Name: 2-[[2-tert-butyl-5-(trifluoromethyl)-7-pyrazolo[1,5-a]pyrimidinyl]thio]ethanol IUPAC Name: 2-[2-tert-butyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]sulfanylethanol Traditional Name: 2-[[2-tert-butyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]thio]ethanol Formula: C13H16F3N3OS MolecularWeight: 319.34585

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN2C(=C1)N=C(C=C2SCCO)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1=NN2C(=C1)N=C(C=C2SCCO)C(F)(F)F

InChI

InChI=1S/C13H16F3N3OS/c1-12(2,3)8-6-10-17-9(13(14,15)16)7-11(19(10)18-8)21-5-4-20/h6-7,20H,4-5H2,1-3H3