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

Systemtic Name: 3-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Openeye Name: 3-[[4-ethyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid CAS Name: 3-[[4-ethyl-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]propanoic acid IUPAC Name: 3-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Traditional Name: 3-[[4-ethyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]propionic acid Formula: C11H13N3O3S MolecularWeight: 267.30422

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCC(=O)O)C2=CC=CO2

Isomeric SMILES

CCN1C(=NN=C1SCCC(=O)O)C2=CC=CO2

InChI

InChI=1S/C11H13N3O3S/c1-2-14-10(8-4-3-6-17-8)12-13-11(14)18-7-5-9(15)16/h3-4,6H,2,5,7H2,1H3,(H,15,16)