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

Systemtic Name: 5-[[(2-methyl-4-nitro-phenyl)amino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(2-methyl-4-nitro-anilino)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(2-methyl-4-nitroanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(2-methyl-4-nitroanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[(2-methyl-4-nitro-anilino)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C12H10N4O4S MolecularWeight: 306.2972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N4O4S/c1-6-4-7(16(19)20)2-3-9(6)13-5-8-10(17)14-12(21)15-11(8)18/h2-5,13H,1H3,(H2,14,15,17,18,21)