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

Systemtic Name: 2-[[4-(2-oxidanylideneoxolan-3-yl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(2-oxotetrahydrofuran-3-yl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(2-oxo-3-oxolanyl)-5-propyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(2-oxooxolan-3-yl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(2-ketotetrahydrofuran-3-yl)-5-propyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C11H15N3O4S MolecularWeight: 285.3195

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1C2CCOC2=O)SCC(=O)O

Isomeric SMILES

CCCC1=NN=C(N1C2CCOC2=O)SCC(=O)O

InChI

InChI=1S/C11H15N3O4S/c1-2-3-8-12-13-11(19-6-9(15)16)14(8)7-4-5-18-10(7)17/h7H,2-6H2,1H3,(H,15,16)