N-(2-methoxy-5-nitro-phenyl)-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-(2-methoxy-5-nitro-phenyl)-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-(2-methoxy-5-nitrophenyl)-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-(2-methoxy-5-nitrophenyl)-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-(2-methoxy-5-nitro-phenyl)-2-(2-pyrimidylthio)acetamide Formula: C13H12N4O4S MolecularWeight: 320.32378

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=NC=CC=N2

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=NC=CC=N2

InChI

InChI=1S/C13H12N4O4S/c1-21-11-4-3-9(17(19)20)7-10(11)16-12(18)8-22-13-14-5-2-6-15-13/h2-7H,8H2,1H3,(H,16,18)