N-(4-nitrophenyl)-2-[(4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-nitrophenyl)-2-[(4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-nitrophenyl)acetamide CAS Name: 2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)thio]-N-(4-nitrophenyl)acetamide IUPAC Name: 2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-nitrophenyl)acetamide Traditional Name: 2-[(4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]-N-(4-nitrophenyl)acetamide Formula: C12H10N4O5S MolecularWeight: 322.2966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N4O5S/c17-9-5-10(18)15-12(14-9)22-6-11(19)13-7-1-3-8(4-2-7)16(20)21/h1-5H,6H2,(H,13,19)(H2,14,15,17,18)