5-cyano-6-cyclohexyl-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-pyrimidin-4-olate

Systemtic Name: 5-cyano-6-cyclohexyl-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-pyrimidin-4-olate Openeye Name: 5-cyano-6-cyclohexyl-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-pyrimidin-4-olate CAS Name: 5-cyano-6-cyclohexyl-2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-4-pyrimidinolate IUPAC Name: 5-cyano-6-cyclohexyl-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylpyrimidin-4-olate Traditional Name: 5-cyano-6-cyclohexyl-2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]pyrimidin-4-olate Formula: C18H14F3N4O3S- MolecularWeight: 423.38897

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(C(=NC(=N2)SC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])[O-])C#N

Isomeric SMILES

C1CCC(CC1)C2=C(C(=NC(=N2)SC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])[O-])C#N

InChI

InChI=1S/C18H15F3N4O3S/c19-18(20,21)11-6-7-14(13(8-11)25(27)28)29-17-23-15(10-4-2-1-3-5-10)12(9-22)16(26)24-17/h6-8,10H,1-5H2,(H,23,24,26)/p-1