4-[[2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanoylamino]methyl]benzoate

Systemtic Name: 4-[[2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanoylamino]methyl]benzoate Openeye Name: 4-[[[2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetyl]amino]methyl]benzoate CAS Name: 4-[[[1-oxo-2-[[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]ethyl]amino]methyl]benzoate IUPAC Name: 4-[[[2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]acetyl]amino]methyl]benzoate Formula: C21H15F3N3O3S- MolecularWeight: 446.42231

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(=O)NCC3=CC=C(C=C3)C(=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(=O)NCC3=CC=C(C=C3)C(=O)[O-])C(F)(F)F

InChI

InChI=1S/C21H16F3N3O3S/c22-21(23,24)17-10-16(14-4-2-1-3-5-14)26-20(27-17)31-12-18(28)25-11-13-6-8-15(9-7-13)19(29)30/h1-10H,11-12H2,(H,25,28)(H,29,30)/p-1