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

Systemtic Name: 1-(4-ethylphenyl)-5-[(5-nitrofuran-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(4-ethylphenyl)-5-[(5-nitro-2-furyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(4-ethylphenyl)-5-[(5-nitro-2-furanyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(4-ethylphenyl)-5-[(5-nitrofuran-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(4-ethylphenyl)-5-[(5-nitro-2-furyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C17H13N3O5S MolecularWeight: 371.36722

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)[N+](=O)[O-])C(=O)NC2=S

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)[N+](=O)[O-])C(=O)NC2=S

InChI

InChI=1S/C17H13N3O5S/c1-2-10-3-5-11(6-4-10)19-16(22)13(15(21)18-17(19)26)9-12-7-8-14(25-12)20(23)24/h3-9H,2H2,1H3,(H,18,21,26)