2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-ethyl-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-ethyl-5-(m-tolyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C13H14N3O2S- MolecularWeight: 276.33416

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)[O-])C2=CC(=CC=C2)C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)[O-])C2=CC(=CC=C2)C

InChI

InChI=1S/C13H15N3O2S/c1-3-16-12(10-6-4-5-9(2)7-10)14-15-13(16)19-8-11(17)18/h4-7H,3,8H2,1-2H3,(H,17,18)/p-1