5-cyano-2-[2-oxidanylidene-2-[4-(trifluoromethyloxy)phenyl]ethyl]sulfanyl-6-thiophen-2-yl-pyrimidin-4-olate

Systemtic Name: 5-cyano-2-[2-oxidanylidene-2-[4-(trifluoromethyloxy)phenyl]ethyl]sulfanyl-6-thiophen-2-yl-pyrimidin-4-olate Openeye Name: 5-cyano-2-[2-oxo-2-[4-(trifluoromethoxy)phenyl]ethyl]sulfanyl-6-(2-thienyl)pyrimidin-4-olate CAS Name: 5-cyano-2-[[2-oxo-2-[4-(trifluoromethoxy)phenyl]ethyl]thio]-6-thiophen-2-yl-4-pyrimidinolate IUPAC Name: 5-cyano-2-[2-oxo-2-[4-(trifluoromethoxy)phenyl]ethyl]sulfanyl-6-thiophen-2-ylpyrimidin-4-olate Traditional Name: 5-cyano-2-[[2-keto-2-[4-(trifluoromethoxy)phenyl]ethyl]thio]-6-(2-thienyl)pyrimidin-4-olate Formula: C18H9F3N3O3S2- MolecularWeight: 436.40757

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=C(C(=NC(=N2)SCC(=O)C3=CC=C(C=C3)OC(F)(F)F)[O-])C#N

Isomeric SMILES

C1=CSC(=C1)C2=C(C(=NC(=N2)SCC(=O)C3=CC=C(C=C3)OC(F)(F)F)[O-])C#N

InChI

InChI=1S/C18H10F3N3O3S2/c19-18(20,21)27-11-5-3-10(4-6-11)13(25)9-29-17-23-15(14-2-1-7-28-14)12(8-22)16(26)24-17/h1-7H,9H2,(H,23,24,26)/p-1