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

Systemtic Name: 5-[[2,5-dimethyl-1-(2-methyl-4-nitro-phenyl)pyrrol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[2,5-dimethyl-1-(2-methyl-4-nitro-phenyl)pyrrol-3-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[2,5-dimethyl-1-(2-methyl-4-nitrophenyl)-3-pyrrolyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[2,5-dimethyl-1-(2-methyl-4-nitrophenyl)pyrrol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[[2,5-dimethyl-1-(2-methyl-4-nitro-phenyl)pyrrol-3-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C18H16N4O4S MolecularWeight: 384.40904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4O4S/c1-9-6-13(22(25)26)4-5-15(9)21-10(2)7-12(11(21)3)8-14-16(23)19-18(27)20-17(14)24/h4-8H,1-3H3,(H2,19,20,23,24,27)