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

Systemtic Name: 5-[[5-(2-methyl-3-nitro-phenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[5-(2-methyl-3-nitro-phenyl)-2-furyl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[5-(2-methyl-3-nitrophenyl)-2-furanyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[5-(2-methyl-3-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[[5-(2-methyl-3-nitro-phenyl)-2-furyl]methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C16H11N3O5S MolecularWeight: 357.34064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C2=CC=C(O2)C=C3C(=O)NC(=S)NC3=O

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C2=CC=C(O2)C=C3C(=O)NC(=S)NC3=O

InChI

InChI=1S/C16H11N3O5S/c1-8-10(3-2-4-12(8)19(22)23)13-6-5-9(24-13)7-11-14(20)17-16(25)18-15(11)21/h2-7H,1H3,(H2,17,18,20,21,25)