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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2=CC=C(O2)C=C3C(=O)NC(=S)NC3=O)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1C2=CC=C(O2)C=C3C(=O)NC(=S)NC3=O)[N+](=O)[O-])C

InChI

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