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

Systemtic Name: 2-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(2-furylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(2-furanylmethyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(2-furfuryl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C9H9N3O3S MolecularWeight: 239.25106

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CN2C=NN=C2SCC(=O)O

Isomeric SMILES

C1=COC(=C1)CN2C=NN=C2SCC(=O)O

InChI

InChI=1S/C9H9N3O3S/c13-8(14)5-16-9-11-10-6-12(9)4-7-2-1-3-15-7/h1-3,6H,4-5H2,(H,13,14)