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

Systemtic Name: 2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-(2-furyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-(2-furanyl)-1H-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-(2-furyl)-1H-1,2,4-triazol-3-yl]thio]acetic acid Formula: C8H7N3O3S MolecularWeight: 225.22448

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C2=NC(=NN2)SCC(=O)O

Isomeric SMILES

C1=COC(=C1)C2=NC(=NN2)SCC(=O)O

InChI

InChI=1S/C8H7N3O3S/c12-6(13)4-15-8-9-7(10-11-8)5-2-1-3-14-5/h1-3H,4H2,(H,12,13)(H,9,10,11)