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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC2=NC(=NN2)SCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OCC2=NC(=NN2)SCC(=O)[O-]

InChI

InChI=1S/C11H11N3O3S/c15-10(16)7-18-11-12-9(13-14-11)6-17-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,15,16)(H,12,13,14)/p-1