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

Systemtic Name: 2-[2-[3-cyano-6-(phenylmethyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanylethanoylamino]ethanoate Openeye Name: 2-[[2-[[6-benzyl-3-cyano-4-(trifluoromethyl)-2-pyridyl]sulfanyl]acetyl]amino]acetate CAS Name: 2-[[2-[[3-cyano-6-(phenylmethyl)-4-(trifluoromethyl)-2-pyridinyl]thio]-1-oxoethyl]amino]acetate IUPAC Name: 2-[[2-[6-benzyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetyl]amino]acetate Traditional Name: 2-[[2-[[6-benzyl-3-cyano-4-(trifluoromethyl)-2-pyridyl]thio]acetyl]amino]acetate Formula: C18H13F3N3O3S- MolecularWeight: 408.37433

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC(=O)NCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC(=O)NCC(=O)[O-]

InChI

InChI=1S/C18H14F3N3O3S/c19-18(20,21)14-7-12(6-11-4-2-1-3-5-11)24-17(13(14)8-22)28-10-15(25)23-9-16(26)27/h1-5,7H,6,9-10H2,(H,23,25)(H,26,27)/p-1