4-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-1-phenyl-pyrazolidine-3,5-dione

Systemtic Name: 4-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-1-phenyl-pyrazolidine-3,5-dione Openeye Name: 4-[[5-(1H-benzimidazol-2-ylsulfanyl)-2-furyl]methylene]-1-phenyl-pyrazolidine-3,5-dione CAS Name: 4-[[5-(1H-benzimidazol-2-ylthio)-2-furanyl]methylidene]-1-phenylpyrazolidine-3,5-dione IUPAC Name: 4-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-1-phenylpyrazolidine-3,5-dione Traditional Name: 4-[[5-(1H-benzimidazol-2-ylthio)-2-furyl]methylene]-1-phenyl-pyrazolidine-3,5-quinone Formula: C21H14N4O3S MolecularWeight: 402.42586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)SC4=NC5=CC=CC=C5N4)C(=O)N2

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)SC4=NC5=CC=CC=C5N4)C(=O)N2

InChI

InChI=1S/C21H14N4O3S/c26-19-15(20(27)25(24-19)13-6-2-1-3-7-13)12-14-10-11-18(28-14)29-21-22-16-8-4-5-9-17(16)23-21/h1-12H,(H,22,23)(H,24,26)