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

Systemtic Name: 5-[(2,4-dinitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(2,4-dinitrophenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(2,4-dinitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(2,4-dinitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(2,4-dinitrobenzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C11H6N4O6S MolecularWeight: 322.25354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H6N4O6S/c16-9-7(10(17)13-11(22)12-9)3-5-1-2-6(14(18)19)4-8(5)15(20)21/h1-4H,(H2,12,13,16,17,22)