2-[2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate

Systemtic Name: 2-[2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate Openeye Name: 2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate CAS Name: 2-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]thio]-6-phenyl-4-pyrimidinolate IUPAC Name: 2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]sulfanyl-6-phenylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-[3-(trifluoromethyl)anilino]ethyl]thio]-6-phenyl-pyrimidin-4-olate Formula: C19H13F3N3O2S- MolecularWeight: 404.38563

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(=O)NC3=CC=CC(=C3)C(F)(F)F)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(=O)NC3=CC=CC(=C3)C(F)(F)F)[O-]

InChI

InChI=1S/C19H14F3N3O2S/c20-19(21,22)13-7-4-8-14(9-13)23-17(27)11-28-18-24-15(10-16(26)25-18)12-5-2-1-3-6-12/h1-10H,11H2,(H,23,27)(H,24,25,26)/p-1