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

Systemtic Name: 5-[[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]methylene]-1-phenyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[2,5-dimethyl-1-(4-nitrophenyl)-3-pyrrolyl]methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]methylene]-1-phenyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C23H18N4O4S MolecularWeight: 446.47842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)[N+](=O)[O-])C)C=C3C(=O)NC(=S)N(C3=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)[N+](=O)[O-])C)C=C3C(=O)NC(=S)N(C3=O)C4=CC=CC=C4

InChI

InChI=1S/C23H18N4O4S/c1-14-12-16(15(2)25(14)18-8-10-19(11-9-18)27(30)31)13-20-21(28)24-23(32)26(22(20)29)17-6-4-3-5-7-17/h3-13H,1-2H3,(H,24,28,32)