1-(4-chlorophenyl)-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 1-(4-chlorophenyl)-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-(4-chlorophenyl)-5-[(5-phenylsulfanyl-2-furyl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(4-chlorophenyl)-5-[[5-(phenylthio)-2-furanyl]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(4-chlorophenyl)-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-(4-chlorophenyl)-5-[[5-(phenylthio)-2-furyl]methylene]barbituric acid Formula: C21H13ClN2O4S MolecularWeight: 424.85692

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=C(O2)C=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=C(O2)C=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H13ClN2O4S/c22-13-6-8-14(9-7-13)24-20(26)17(19(25)23-21(24)27)12-15-10-11-18(28-15)29-16-4-2-1-3-5-16/h1-12H,(H,23,25,27)