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

Systemtic Name: 5-[[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[4-(2-hydroxyethylthio)-3-nitrophenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[4-(2-hydroxyethylsulfanyl)-3-nitrophenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[4-(2-hydroxyethylthio)-3-nitro-benzylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C13H11N3O5S2 MolecularWeight: 353.37354

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C=C2C(=O)NC(=S)NC2=O)[N+](=O)[O-])SCCO

Isomeric SMILES

C1=CC(=C(C=C1C=C2C(=O)NC(=S)NC2=O)[N+](=O)[O-])SCCO

InChI

InChI=1S/C13H11N3O5S2/c17-3-4-23-10-2-1-7(6-9(10)16(20)21)5-8-11(18)14-13(22)15-12(8)19/h1-2,5-6,17H,3-4H2,(H2,14,15,18,19,22)