N-(2-methoxy-5-nitro-phenyl)-3-pyrimidin-2-ylsulfanyl-propanamide

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-3-pyrimidin-2-ylsulfanyl-propanamide Openeye Name: N-(2-methoxy-5-nitro-phenyl)-3-pyrimidin-2-ylsulfanyl-propanamide CAS Name: N-(2-methoxy-5-nitrophenyl)-3-(2-pyrimidinylthio)propanamide IUPAC Name: N-(2-methoxy-5-nitrophenyl)-3-pyrimidin-2-ylsulfanylpropanamide Traditional Name: N-(2-methoxy-5-nitro-phenyl)-3-(2-pyrimidylthio)propionamide Formula: C14H14N4O4S MolecularWeight: 334.35036

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCSC2=NC=CC=N2

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCSC2=NC=CC=N2

InChI

InChI=1S/C14H14N4O4S/c1-22-12-4-3-10(18(20)21)9-11(12)17-13(19)5-8-23-14-15-6-2-7-16-14/h2-4,6-7,9H,5,8H2,1H3,(H,17,19)