N-(3-nitrophenyl)-2-pyrimidin-2-ylsulfanyl-propanamide

Systemtic Name: N-(3-nitrophenyl)-2-pyrimidin-2-ylsulfanyl-propanamide Openeye Name: N-(3-nitrophenyl)-2-pyrimidin-2-ylsulfanyl-propanamide CAS Name: N-(3-nitrophenyl)-2-(2-pyrimidinylthio)propanamide IUPAC Name: N-(3-nitrophenyl)-2-pyrimidin-2-ylsulfanylpropanamide Traditional Name: N-(3-nitrophenyl)-2-(2-pyrimidylthio)propionamide Formula: C13H12N4O3S MolecularWeight: 304.32438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N4O3S/c1-9(21-13-14-6-3-7-15-13)12(18)16-10-4-2-5-11(8-10)17(19)20/h2-9H,1H3,(H,16,18)