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

Systemtic Name: 2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]acetate Formula: C11H10N3O3S- MolecularWeight: 264.2804

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)[O-]

InChI

InChI=1S/C11H11N3O3S/c1-17-8-4-2-7(3-5-8)10-12-11(14-13-10)18-6-9(15)16/h2-5H,6H2,1H3,(H,15,16)(H,12,13,14)/p-1