2-[2-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate

Systemtic Name: 2-[2-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate Openeye Name: 2-[2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxo-ethyl]sulfanylpyrimidin-4-olate CAS Name: 2-[[2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxoethyl]thio]-4-pyrimidinolate IUPAC Name: 2-[2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxoethyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-[4-nitro-2-(trifluoromethyl)anilino]ethyl]thio]pyrimidin-4-olate Formula: C13H8F3N4O4S- MolecularWeight: 373.28723

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])C(F)(F)F)NC(=O)CSC2=NC=CC(=N2)[O-]

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C(F)(F)F)NC(=O)CSC2=NC=CC(=N2)[O-]

InChI

InChI=1S/C13H9F3N4O4S/c14-13(15,16)8-5-7(20(23)24)1-2-9(8)18-11(22)6-25-12-17-4-3-10(21)19-12/h1-5H,6H2,(H,18,22)(H,17,19,21)/p-1