(5E)-5-[(5-nitrofuran-2-yl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: (5E)-5-[(5-nitrofuran-2-yl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5E)-1-allyl-5-[(5-nitro-2-furyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5E)-5-[(5-nitro-2-furanyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5E)-5-[(5-nitrofuran-2-yl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5E)-1-allyl-5-[(5-nitro-2-furyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C12H9N3O5S MolecularWeight: 307.28196

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C(=CC2=CC=C(O2)[N+](=O)[O-])C(=O)NC1=S

Isomeric SMILES

C=CCN1C(=O)/C(=C/C2=CC=C(O2)[N+](=O)[O-])/C(=O)NC1=S

InChI

InChI=1S/C12H9N3O5S/c1-2-5-14-11(17)8(10(16)13-12(14)21)6-7-3-4-9(20-7)15(18)19/h2-4,6H,1,5H2,(H,13,16,21)/b8-6+