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

Systemtic Name: 5-[[2,5-dimethyl-1-(2-methyl-4-nitro-phenyl)pyrrol-3-yl]methylidene]-1-ethyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[2,5-dimethyl-1-(2-methyl-4-nitro-phenyl)pyrrol-3-yl]methylene]-1-ethyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[2,5-dimethyl-1-(2-methyl-4-nitrophenyl)-3-pyrrolyl]methylidene]-1-ethyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[2,5-dimethyl-1-(2-methyl-4-nitrophenyl)pyrrol-3-yl]methylidene]-1-ethyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[[2,5-dimethyl-1-(2-methyl-4-nitro-phenyl)pyrrol-3-yl]methylene]-1-ethyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CC2=C(N(C(=C2)C)C3=C(C=C(C=C3)[N+](=O)[O-])C)C)C(=O)NC1=S

Isomeric SMILES

CCN1C(=O)C(=CC2=C(N(C(=C2)C)C3=C(C=C(C=C3)[N+](=O)[O-])C)C)C(=O)NC1=S

InChI

InChI=1S/C20H20N4O4S/c1-5-22-19(26)16(18(25)21-20(22)29)10-14-9-12(3)23(13(14)4)17-7-6-15(24(27)28)8-11(17)2/h6-10H,5H2,1-4H3,(H,21,25,29)