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

Systemtic Name: 2-(2,5-dimethylphenoxy)ethyl 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: 2-(2,5-dimethylphenoxy)ethyl 2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]acetic acid 2-(2,5-dimethylphenoxy)ethyl ester IUPAC Name: 2-(2,5-dimethylphenoxy)ethyl 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetic acid 2-(2,5-dimethylphenoxy)ethyl ester Formula: C20H23N3O3S2 MolecularWeight: 417.54492

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)OCCOC2=C(C=CC(=C2)C)C)C3=CC=CS3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)OCCOC2=C(C=CC(=C2)C)C)C3=CC=CS3

InChI

InChI=1S/C20H23N3O3S2/c1-4-23-19(17-6-5-11-27-17)21-22-20(23)28-13-18(24)26-10-9-25-16-12-14(2)7-8-15(16)3/h5-8,11-12H,4,9-10,13H2,1-3H3