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

Systemtic Name: 2-[[5-(3,4-dimethylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-(3,4-dimethylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(3,4-dimethylphenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-(3,4-dimethylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(3,4-dimethylphenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]acetate Formula: C14H16N3O2S- MolecularWeight: 290.36074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O2S/c1-4-17-13(11-6-5-9(2)10(3)7-11)15-16-14(17)20-8-12(18)19/h5-7H,4,8H2,1-3H3,(H,18,19)/p-1