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

Systemtic Name: 2-[2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-[2-nitro-4-(trifluoromethyl)anilino]-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-[2-nitro-4-(trifluoromethyl)anilino]-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-[2-nitro-4-(trifluoromethyl)anilino]-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C16H14F3N4O4S- MolecularWeight: 415.36697

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)NC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)NC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])[O-]

InChI

InChI=1S/C16H15F3N4O4S/c1-2-3-10-7-13(24)22-15(20-10)28-8-14(25)21-11-5-4-9(16(17,18)19)6-12(11)23(26)27/h4-7H,2-3,8H2,1H3,(H,21,25)(H,20,22,24)/p-1