4-(1H-benzimidazol-2-ylsulfanyl)-5-(1H-benzimidazol-2-ylsulfanylmethyl)-5-(hydroxymethyl)oxolane-2,3-dione

Systemtic Name: 4-(1H-benzimidazol-2-ylsulfanyl)-5-(1H-benzimidazol-2-ylsulfanylmethyl)-5-(hydroxymethyl)oxolane-2,3-dione Openeye Name: 4-(1H-benzimidazol-2-ylsulfanyl)-5-(1H-benzimidazol-2-ylsulfanylmethyl)-5-(hydroxymethyl)tetrahydrofuran-2,3-dione CAS Name: 4-(1H-benzimidazol-2-ylthio)-5-[(1H-benzimidazol-2-ylthio)methyl]-5-(hydroxymethyl)oxolane-2,3-dione IUPAC Name: 4-(1H-benzimidazol-2-ylsulfanyl)-5-(1H-benzimidazol-2-ylsulfanylmethyl)-5-(hydroxymethyl)oxolane-2,3-dione Traditional Name: 4-(1H-benzimidazol-2-ylthio)-5-[(1H-benzimidazol-2-ylthio)methyl]-5-methylol-tetrahydrofuran-2,3-quinone Formula: C20H16N4O4S2 MolecularWeight: 440.49544

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SCC3(C(C(=O)C(=O)O3)SC4=NC5=CC=CC=C5N4)CO

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SCC3(C(C(=O)C(=O)O3)SC4=NC5=CC=CC=C5N4)CO

InChI

InChI=1S/C20H16N4O4S2/c25-9-20(10-29-18-21-11-5-1-2-6-12(11)22-18)16(15(26)17(27)28-20)30-19-23-13-7-3-4-8-14(13)24-19/h1-8,16,25H,9-10H2,(H,21,22)(H,23,24)