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

Systemtic Name: 5-[[1-(2-methoxy-5-nitro-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[1-(2-methoxy-5-nitro-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[1-(2-methoxy-5-nitrophenyl)-2,5-dimethyl-3-pyrrolyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[1-(2-methoxy-5-nitrophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[[1-(2-methoxy-5-nitro-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C18H16N4O5S MolecularWeight: 400.40844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=C(C=CC(=C2)[N+](=O)[O-])OC)C)C=C3C(=O)NC(=S)NC3=O

Isomeric SMILES

CC1=CC(=C(N1C2=C(C=CC(=C2)[N+](=O)[O-])OC)C)C=C3C(=O)NC(=S)NC3=O

InChI

InChI=1S/C18H16N4O5S/c1-9-6-11(7-13-16(23)19-18(28)20-17(13)24)10(2)21(9)14-8-12(22(25)26)4-5-15(14)27-3/h4-8H,1-3H3,(H2,19,20,23,24,28)