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

Systemtic Name: N-(4-chloranyl-3-nitro-phenyl)-2-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanamide Openeye Name: N-(4-chloro-3-nitro-phenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide CAS Name: N-(4-chloro-3-nitrophenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)thio]acetamide IUPAC Name: N-(4-chloro-3-nitrophenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide Traditional Name: N-(4-chloro-3-nitro-phenyl)-2-[(6-keto-1H-pyrimidin-2-yl)thio]acetamide Formula: C12H9ClN4O4S MolecularWeight: 340.74226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9ClN4O4S/c13-8-2-1-7(5-9(8)17(20)21)15-11(19)6-22-12-14-4-3-10(18)16-12/h1-5H,6H2,(H,15,19)(H,14,16,18)