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

Systemtic Name: 5-[[(2,4-dimethyl-6-nitro-phenyl)amino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(2,4-dimethyl-6-nitro-anilino)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(2,4-dimethyl-6-nitroanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(2,4-dimethyl-6-nitroanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[(2,4-dimethyl-6-nitro-anilino)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C13H12N4O4S MolecularWeight: 320.32378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N4O4S/c1-6-3-7(2)10(9(4-6)17(20)21)14-5-8-11(18)15-13(22)16-12(8)19/h3-5,14H,1-2H3,(H2,15,16,18,19,22)