N-[4-nitro-2-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[4-nitro-2-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-[4-nitro-2-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[4-nitro-2-(trifluoromethyl)phenyl]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-[4-nitro-2-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-[4-nitro-2-(trifluoromethyl)phenyl]-2-(2-pyrimidylthio)acetamide Formula: C13H9F3N4O3S MolecularWeight: 358.29577

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CN=C(N=C1)SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C13H9F3N4O3S/c14-13(15,16)9-6-8(20(22)23)2-3-10(9)19-11(21)7-24-12-17-4-1-5-18-12/h1-6H,7H2,(H,19,21)