2-[4-(2-ethylpyrazol-3-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanamine

Systemtic Name: 2-[4-(2-ethylpyrazol-3-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanamine Openeye Name: 2-[4-(2-ethylpyrazol-3-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanamine CAS Name: 2-[[4-(2-ethyl-3-pyrazolyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]ethanamine IUPAC Name: 2-[4-(2-ethylpyrazol-3-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanamine Traditional Name: 2-[[4-(2-ethylpyrazol-3-yl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]ethylamine Formula: C12H14F3N5S MolecularWeight: 317.33327

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC=N1)C2=CC(=NC(=N2)SCCN)C(F)(F)F

Isomeric SMILES

CCN1C(=CC=N1)C2=CC(=NC(=N2)SCCN)C(F)(F)F

InChI

InChI=1S/C12H14F3N5S/c1-2-20-9(3-5-17-20)8-7-10(12(13,14)15)19-11(18-8)21-6-4-16/h3,5,7H,2,4,6,16H2,1H3