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

Systemtic Name: 6-methyl-2-[2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-olate Openeye Name: 6-methyl-2-[2-[2-nitro-4-(trifluoromethyl)anilino]-2-oxo-ethyl]sulfanyl-pyrimidin-4-olate CAS Name: 6-methyl-2-[[2-[2-nitro-4-(trifluoromethyl)anilino]-2-oxoethyl]thio]-4-pyrimidinolate IUPAC Name: 6-methyl-2-[2-[2-nitro-4-(trifluoromethyl)anilino]-2-oxoethyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C14H10F3N4O4S- MolecularWeight: 387.31381

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])[O-]

InChI

InChI=1S/C14H11F3N4O4S/c1-7-4-11(22)20-13(18-7)26-6-12(23)19-9-3-2-8(14(15,16)17)5-10(9)21(24)25/h2-5H,6H2,1H3,(H,19,23)(H,18,20,22)/p-1