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

Systemtic Name: 5-[(4-methyl-3-nitro-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(4-methyl-3-nitro-phenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(4-methyl-3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(4-methyl-3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(4-methyl-3-nitro-benzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C12H9N3O4S MolecularWeight: 291.28256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=C2C(=O)NC(=S)NC2=O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C=C2C(=O)NC(=S)NC2=O)[N+](=O)[O-]

InChI

InChI=1S/C12H9N3O4S/c1-6-2-3-7(5-9(6)15(18)19)4-8-10(16)13-12(20)14-11(8)17/h2-5H,1H3,(H2,13,14,16,17,20)