2-tert-butyl-7-ethylsulfanyl-3-iodanyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

Systemtic Name: 2-tert-butyl-7-ethylsulfanyl-3-iodanyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine Openeye Name: 2-tert-butyl-7-ethylsulfanyl-3-iodo-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine CAS Name: 2-tert-butyl-7-(ethylthio)-3-iodo-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine IUPAC Name: 2-tert-butyl-7-ethylsulfanyl-3-iodo-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine Traditional Name: 2-tert-butyl-7-(ethylthio)-3-iodo-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine Formula: C13H15F3IN3S MolecularWeight: 429.24298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC(=NC2=C(C(=NN12)C(C)(C)C)I)C(F)(F)F

Isomeric SMILES

CCSC1=CC(=NC2=C(C(=NN12)C(C)(C)C)I)C(F)(F)F

InChI

InChI=1S/C13H15F3IN3S/c1-5-21-8-6-7(13(14,15)16)18-11-9(17)10(12(2,3)4)19-20(8)11/h6H,5H2,1-4H3