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

Systemtic Name: 5-[[3-[(4-nitrophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[3-[(4-nitrophenyl)methoxy]phenyl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[3-[(4-nitrophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[3-[(4-nitrophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[3-(4-nitrobenzyl)oxybenzylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C18H13N3O5S MolecularWeight: 383.37792

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCC2=CC=C(C=C2)[N+](=O)[O-])C=C3C(=O)NC(=S)NC3=O

Isomeric SMILES

C1=CC(=CC(=C1)OCC2=CC=C(C=C2)[N+](=O)[O-])C=C3C(=O)NC(=S)NC3=O

InChI

InChI=1S/C18H13N3O5S/c22-16-15(17(23)20-18(27)19-16)9-12-2-1-3-14(8-12)26-10-11-4-6-13(7-5-11)21(24)25/h1-9H,10H2,(H2,19,20,22,23,27)