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

Systemtic Name: 1,3-diethyl-5-[[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1,3-diethyl-5-[[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1,3-diethyl-5-[[4-(2-hydroxyethylthio)-3-nitrophenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1,3-diethyl-5-[[4-(2-hydroxyethylsulfanyl)-3-nitrophenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1,3-diethyl-5-[4-(2-hydroxyethylthio)-3-nitro-benzylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C17H19N3O5S2 MolecularWeight: 409.47986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O5S2/c1-3-18-15(22)12(16(23)19(4-2)17(18)26)9-11-5-6-14(27-8-7-21)13(10-11)20(24)25/h5-6,9-10,21H,3-4,7-8H2,1-2H3