N-(4-chloranyl-3-nitro-phenyl)-2-[(4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-chloranyl-3-nitro-phenyl)-2-[(4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanamide Openeye Name: N-(4-chloro-3-nitro-phenyl)-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide CAS Name: N-(4-chloro-3-nitrophenyl)-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)thio]acetamide IUPAC Name: N-(4-chloro-3-nitrophenyl)-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide Traditional Name: N-(4-chloro-3-nitro-phenyl)-2-[(4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]acetamide Formula: C12H9ClN4O5S MolecularWeight: 356.74166

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)CSC2=NC(=CC(=O)N2)O)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)CSC2=NC(=CC(=O)N2)O)[N+](=O)[O-])Cl

InChI

InChI=1S/C12H9ClN4O5S/c13-7-2-1-6(3-8(7)17(21)22)14-11(20)5-23-12-15-9(18)4-10(19)16-12/h1-4H,5H2,(H,14,20)(H2,15,16,18,19)