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

Systemtic Name: 5-[[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[2,5-dimethyl-1-(3-nitrophenyl)-3-pyrrolyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C17H14N4O4S MolecularWeight: 370.38246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N4O4S/c1-9-6-11(7-14-15(22)18-17(26)19-16(14)23)10(2)20(9)12-4-3-5-13(8-12)21(24)25/h3-8H,1-2H3,(H2,18,19,22,23,26)