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

Systemtic Name: 1-(4-ethylphenyl)-5-[[5-(4-methyl-3-nitro-phenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(4-ethylphenyl)-5-[[5-(4-methyl-3-nitro-phenyl)-2-furyl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(4-ethylphenyl)-5-[[5-(4-methyl-3-nitrophenyl)-2-furanyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(4-ethylphenyl)-5-[[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(4-ethylphenyl)-5-[[5-(4-methyl-3-nitro-phenyl)-2-furyl]methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C24H19N3O5S MolecularWeight: 461.48976

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)C4=CC(=C(C=C4)C)[N+](=O)[O-])C(=O)NC2=S

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)C4=CC(=C(C=C4)C)[N+](=O)[O-])C(=O)NC2=S

InChI

InChI=1S/C24H19N3O5S/c1-3-15-5-8-17(9-6-15)26-23(29)19(22(28)25-24(26)33)13-18-10-11-21(32-18)16-7-4-14(2)20(12-16)27(30)31/h4-13H,3H2,1-2H3,(H,25,28,33)