2-[[5-(furan-2-yl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[5-(furan-2-yl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-(2-furyl)-4-(2-furylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(2-furanyl)-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-(furan-2-yl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(2-furfuryl)-5-(2-furyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C13H10N3O4S- MolecularWeight: 304.3012

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CN2C(=NN=C2SCC(=O)[O-])C3=CC=CO3

Isomeric SMILES

C1=COC(=C1)CN2C(=NN=C2SCC(=O)[O-])C3=CC=CO3

InChI

InChI=1S/C13H11N3O4S/c17-11(18)8-21-13-15-14-12(10-4-2-6-20-10)16(13)7-9-3-1-5-19-9/h1-6H,7-8H2,(H,17,18)/p-1