N-[3-(4-ethoxyphenoxy)-5-nitro-phenyl]-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[3-(4-ethoxyphenoxy)-5-nitro-phenyl]-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-[3-(4-ethoxyphenoxy)-5-nitro-phenyl]-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[3-(4-ethoxyphenoxy)-5-nitrophenyl]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-[3-(4-ethoxyphenoxy)-5-nitrophenyl]-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-[3-(4-ethoxyphenoxy)-5-nitro-phenyl]-2-(2-pyrimidylthio)acetamide Formula: C20H18N4O5S MolecularWeight: 426.44572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CSC3=NC=CC=N3

Isomeric SMILES

CCOC1=CC=C(C=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C20H18N4O5S/c1-2-28-16-4-6-17(7-5-16)29-18-11-14(10-15(12-18)24(26)27)23-19(25)13-30-20-21-8-3-9-22-20/h3-12H,2,13H2,1H3,(H,23,25)