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

Systemtic Name: 5-[(3-nitro-4-pyrrolidin-1-yl-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(3-nitro-4-pyrrolidin-1-yl-phenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[3-nitro-4-(1-pyrrolidinyl)phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(3-nitro-4-pyrrolidin-1-ylphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(3-nitro-4-pyrrolidino-benzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C15H14N4O4S MolecularWeight: 346.36106

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C=C3C(=O)NC(=S)NC3=O)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C=C3C(=O)NC(=S)NC3=O)[N+](=O)[O-]

InChI

InChI=1S/C15H14N4O4S/c20-13-10(14(21)17-15(24)16-13)7-9-3-4-11(12(8-9)19(22)23)18-5-1-2-6-18/h3-4,7-8H,1-2,5-6H2,(H2,16,17,20,21,24)