2-[[4-(2-oxidanylideneoxolan-3-yl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[4-(2-oxidanylideneoxolan-3-yl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(2-oxotetrahydrofuran-3-yl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(2-oxo-3-oxolanyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(2-oxooxolan-3-yl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(2-ketotetrahydrofuran-3-yl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C12H11N3O4S2 MolecularWeight: 325.36344

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(=O)C1N2C(=NN=C2SCC(=O)O)C3=CC=CS3

Isomeric SMILES

C1COC(=O)C1N2C(=NN=C2SCC(=O)O)C3=CC=CS3

InChI

InChI=1S/C12H11N3O4S2/c16-9(17)6-21-12-14-13-10(8-2-1-5-20-8)15(12)7-3-4-19-11(7)18/h1-2,5,7H,3-4,6H2,(H,16,17)