(5E)-1-(4-methylphenyl)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: (5E)-1-(4-methylphenyl)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5E)-5-[[5-(2-nitrophenyl)-2-furyl]methylene]-1-(p-tolyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5E)-1-(4-methylphenyl)-5-[[5-(2-nitrophenyl)-2-furanyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5E)-1-(4-methylphenyl)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5E)-5-[[5-(2-nitrophenyl)-2-furyl]methylene]-1-(p-tolyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C22H15N3O5S MolecularWeight: 433.4366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)C4=CC=CC=C4[N+](=O)[O-])C(=O)NC2=S

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=C(O3)C4=CC=CC=C4[N+](=O)[O-])/C(=O)NC2=S

InChI

InChI=1S/C22H15N3O5S/c1-13-6-8-14(9-7-13)24-21(27)17(20(26)23-22(24)31)12-15-10-11-19(30-15)16-4-2-3-5-18(16)25(28)29/h2-12H,1H3,(H,23,26,31)/b17-12+