2-[4-(1-ethyl-3-methyl-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanamine

Systemtic Name: 2-[4-(1-ethyl-3-methyl-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanamine Openeye Name: 2-[4-(1-ethyl-3-methyl-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanamine CAS Name: 2-[[4-(1-ethyl-3-methyl-4-pyrazolyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]ethanamine IUPAC Name: 2-[4-(1-ethyl-3-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanamine Traditional Name: 2-[[4-(1-ethyl-3-methyl-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]ethylamine Formula: C13H16F3N5S MolecularWeight: 331.35985

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16F3N5S/c1-3-21-7-9(8(2)20-21)10-6-11(13(14,15)16)19-12(18-10)22-5-4-17/h6-7H,3-5,17H2,1-2H3