2-[2-[6-(4-bromophenyl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylethanoylamino]ethanoate

Systemtic Name: 2-[2-[6-(4-bromophenyl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylethanoylamino]ethanoate Openeye Name: 2-[[2-[[6-(4-bromophenyl)-3-cyano-4-(trifluoromethyl)-2-pyridyl]sulfanyl]acetyl]amino]acetate CAS Name: 2-[[2-[[6-(4-bromophenyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]thio]-1-oxoethyl]amino]acetate IUPAC Name: 2-[[2-[6-(4-bromophenyl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetyl]amino]acetate Traditional Name: 2-[[2-[[6-(4-bromophenyl)-3-cyano-4-(trifluoromethyl)-2-pyridyl]thio]acetyl]amino]acetate Formula: C17H10BrF3N3O3S- MolecularWeight: 473.24381

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC(=O)NCC(=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC(=O)NCC(=O)[O-])Br

InChI

InChI=1S/C17H11BrF3N3O3S/c18-10-3-1-9(2-4-10)13-5-12(17(19,20)21)11(6-22)16(24-13)28-8-14(25)23-7-15(26)27/h1-5H,7-8H2,(H,23,25)(H,26,27)/p-1