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

Systemtic Name: 2-[[5-[(3,4-dimethylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-[(3,4-dimethylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[(3,4-dimethylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-[(3,4-dimethylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-[(3,4-dimethylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]acetate Formula: C15H18N3O3S- MolecularWeight: 320.38672

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)[O-])COC2=CC(=C(C=C2)C)C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)[O-])COC2=CC(=C(C=C2)C)C

InChI

InChI=1S/C15H19N3O3S/c1-4-18-13(16-17-15(18)22-9-14(19)20)8-21-12-6-5-10(2)11(3)7-12/h5-7H,4,8-9H2,1-3H3,(H,19,20)/p-1