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

Systemtic Name: 2-[[4-(furan-2-ylmethyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-(2-furylmethyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(2-furanylmethyl)-5-methyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-(furan-2-ylmethyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(2-furfuryl)-5-methyl-1,2,4-triazol-3-yl]thio]acetate Formula: C10H10N3O3S- MolecularWeight: 252.2697

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC2=CC=CO2)SCC(=O)[O-]

Isomeric SMILES

CC1=NN=C(N1CC2=CC=CO2)SCC(=O)[O-]

InChI

InChI=1S/C10H11N3O3S/c1-7-11-12-10(17-6-9(14)15)13(7)5-8-3-2-4-16-8/h2-4H,5-6H2,1H3,(H,14,15)/p-1