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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN=C(N2CC3=CC=CO3)SCC(=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1C2=NN=C(N2CC3=CC=CO3)SCC(=O)[O-]

InChI

InChI=1S/C16H15N3O4S/c1-22-13-7-3-2-6-12(13)15-17-18-16(24-10-14(20)21)19(15)9-11-5-4-8-23-11/h2-8H,9-10H2,1H3,(H,20,21)/p-1