5-[[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[[4-[(4-chlorophenyl)thio]-3-nitrophenyl]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 5-[4-[(4-chlorophenyl)thio]-3-nitro-benzylidene]barbituric acid Formula: C17H10ClN3O5S MolecularWeight: 403.7964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SC2=C(C=C(C=C2)C=C3C(=O)NC(=O)NC3=O)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1SC2=C(C=C(C=C2)C=C3C(=O)NC(=O)NC3=O)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H10ClN3O5S/c18-10-2-4-11(5-3-10)27-14-6-1-9(8-13(14)21(25)26)7-12-15(22)19-17(24)20-16(12)23/h1-8H,(H2,19,20,22,23,24)