diethyl-[3-[2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanoylamino]propyl]azanium

Systemtic Name: diethyl-[3-[2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanoylamino]propyl]azanium Openeye Name: diethyl-[3-[[2-[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetyl]amino]propyl]ammonium CAS Name: diethyl-[3-[[1-oxo-2-[[4-thiophen-2-yl-6-(trifluoromethyl)-2-pyrimidinyl]thio]ethyl]amino]propyl]ammonium IUPAC Name: diethyl-[3-[[2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetyl]amino]propyl]azanium Traditional Name: diethyl-[3-[[2-[[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]acetyl]amino]propyl]ammonium Formula: C18H24F3N4OS2+ MolecularWeight: 433.53457

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCNC(=O)CSC1=NC(=CC(=N1)C(F)(F)F)C2=CC=CS2

Isomeric SMILES

CC[NH+](CC)CCCNC(=O)CSC1=NC(=CC(=N1)C(F)(F)F)C2=CC=CS2

InChI

InChI=1S/C18H23F3N4OS2/c1-3-25(4-2)9-6-8-22-16(26)12-28-17-23-13(14-7-5-10-27-14)11-15(24-17)18(19,20)21/h5,7,10-11H,3-4,6,8-9,12H2,1-2H3,(H,22,26)/p+1