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

Systemtic Name: 2-[[4-(furan-2-ylmethyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-(2-furylmethyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(2-furanylmethyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-(furan-2-ylmethyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(2-furfuryl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C16H14N3O4S- MolecularWeight: 344.36506

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC2=NN=C(N2CC3=CC=CO3)SCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OCC2=NN=C(N2CC3=CC=CO3)SCC(=O)[O-]

InChI

InChI=1S/C16H15N3O4S/c20-15(21)11-24-16-18-17-14(10-23-12-5-2-1-3-6-12)19(16)9-13-7-4-8-22-13/h1-8H,9-11H2,(H,20,21)/p-1