1,3-diethyl-5-[(5-nitro-2-oxidanyl-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1,3-diethyl-5-[(5-nitro-2-oxidanyl-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1,3-diethyl-5-[(2-hydroxy-5-nitro-phenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1,3-diethyl-5-[(2-hydroxy-5-nitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1,3-diethyl-5-[(2-hydroxy-5-nitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1,3-diethyl-5-(2-hydroxy-5-nitro-benzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C15H15N3O5S MolecularWeight: 349.3617

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CC2=C(C=CC(=C2)[N+](=O)[O-])O)C(=O)N(C1=S)CC

Isomeric SMILES

CCN1C(=O)C(=CC2=C(C=CC(=C2)[N+](=O)[O-])O)C(=O)N(C1=S)CC

InChI

InChI=1S/C15H15N3O5S/c1-3-16-13(20)11(14(21)17(4-2)15(16)24)8-9-7-10(18(22)23)5-6-12(9)19/h5-8,19H,3-4H2,1-2H3