N-(4-fluoranyl-3-nitro-phenyl)-2-pyrimidin-2-ylsulfanyl-propanamide

Systemtic Name: N-(4-fluoranyl-3-nitro-phenyl)-2-pyrimidin-2-ylsulfanyl-propanamide Openeye Name: N-(4-fluoro-3-nitro-phenyl)-2-pyrimidin-2-ylsulfanyl-propanamide CAS Name: N-(4-fluoro-3-nitrophenyl)-2-(2-pyrimidinylthio)propanamide IUPAC Name: N-(4-fluoro-3-nitrophenyl)-2-pyrimidin-2-ylsulfanylpropanamide Traditional Name: N-(4-fluoro-3-nitro-phenyl)-2-(2-pyrimidylthio)propionamide Formula: C13H11FN4O3S MolecularWeight: 322.314843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])SC2=NC=CC=N2

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])SC2=NC=CC=N2

InChI

InChI=1S/C13H11FN4O3S/c1-8(22-13-15-5-2-6-16-13)12(19)17-9-3-4-10(14)11(7-9)18(20)21/h2-8H,1H3,(H,17,19)