5-[[2-(1H-benzimidazol-2-ylsulfanyl)phenyl]iminomethyl]-2,2-dimethyl-1,3-dioxane-4,6-dione

Systemtic Name: 5-[[2-(1H-benzimidazol-2-ylsulfanyl)phenyl]iminomethyl]-2,2-dimethyl-1,3-dioxane-4,6-dione Openeye Name: 5-[[2-(1H-benzimidazol-2-ylsulfanyl)phenyl]iminomethyl]-2,2-dimethyl-1,3-dioxane-4,6-dione CAS Name: 5-[[2-(1H-benzimidazol-2-ylthio)phenyl]iminomethyl]-2,2-dimethyl-1,3-dioxane-4,6-dione IUPAC Name: 5-[[2-(1H-benzimidazol-2-ylsulfanyl)phenyl]iminomethyl]-2,2-dimethyl-1,3-dioxane-4,6-dione Traditional Name: 5-[[2-(1H-benzimidazol-2-ylthio)phenyl]iminomethyl]-2,2-dimethyl-1,3-dioxane-4,6-quinone Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=O)C(C(=O)O1)C=NC2=CC=CC=C2SC3=NC4=CC=CC=C4N3)C

Isomeric SMILES

CC1(OC(=O)C(C(=O)O1)C=NC2=CC=CC=C2SC3=NC4=CC=CC=C4N3)C

InChI

InChI=1S/C20H17N3O4S/c1-20(2)26-17(24)12(18(25)27-20)11-21-15-9-5-6-10-16(15)28-19-22-13-7-3-4-8-14(13)23-19/h3-12H,1-2H3,(H,22,23)