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

Systemtic Name: 1-butyl-5-[[1-(3-nitrophenyl)pyrrol-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-butyl-5-[[1-(3-nitrophenyl)pyrrol-2-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-butyl-5-[[1-(3-nitrophenyl)-2-pyrrolyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-butyl-5-[[1-(3-nitrophenyl)pyrrol-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-butyl-5-[[1-(3-nitrophenyl)pyrrol-2-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C19H18N4O4S MolecularWeight: 398.43562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=CC2=CC=CN2C3=CC(=CC=C3)[N+](=O)[O-])C(=O)NC1=S

Isomeric SMILES

CCCCN1C(=O)C(=CC2=CC=CN2C3=CC(=CC=C3)[N+](=O)[O-])C(=O)NC1=S

InChI

InChI=1S/C19H18N4O4S/c1-2-3-9-22-18(25)16(17(24)20-19(22)28)12-14-8-5-10-21(14)13-6-4-7-15(11-13)23(26)27/h4-8,10-12H,2-3,9H2,1H3,(H,20,24,28)