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

Systemtic Name: 1,3-dimethyl-5-[(4-nitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1,3-dimethyl-5-[(4-nitrophenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1,3-dimethyl-5-[(4-nitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1,3-dimethyl-5-[(4-nitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1,3-dimethyl-5-(4-nitrobenzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C13H11N3O4S MolecularWeight: 305.30914

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)N(C1=S)C

Isomeric SMILES

CN1C(=O)C(=CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)N(C1=S)C

InChI

InChI=1S/C13H11N3O4S/c1-14-11(17)10(12(18)15(2)13(14)21)7-8-3-5-9(6-4-8)16(19)20/h3-7H,1-2H3