sodium 2-[1-[1,1-bis(oxidanylidene)thietan-3-yl]benzimidazol-2-yl]sulfanylethanoate

Systemtic Name: sodium 2-[1-[1,1-bis(oxidanylidene)thietan-3-yl]benzimidazol-2-yl]sulfanylethanoate Openeye Name: sodium 2-[1-(1,1-dioxothietan-3-yl)benzimidazol-2-yl]sulfanylacetate CAS Name: sodium 2-[[1-(1,1-dioxo-3-thietanyl)-2-benzimidazolyl]thio]acetate IUPAC Name: sodium 2-[1-(1,1-dioxothietan-3-yl)benzimidazol-2-yl]sulfanylacetate Traditional Name: sodium 2-[[1-(1,1-diketothietan-3-yl)benzimidazol-2-yl]thio]acetate Formula: C12H11N2NaO4S2 MolecularWeight: 334.34651

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CS1(=O)=O)N2C3=CC=CC=C3N=C2SCC(=O)[O-].[Na+]

Isomeric SMILES

C1C(CS1(=O)=O)N2C3=CC=CC=C3N=C2SCC(=O)[O-].[Na+]

InChI

InChI=1S/C12H12N2O4S2.Na/c15-11(16)5-19-12-13-9-3-1-2-4-10(9)14(12)8-6-20(17,18)7-8;/h1-4,8H,5-7H2,(H,15,16);/q;+1/p-1