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

Systemtic Name: 2-[[4-ethyl-5-[3-(3-methyl-4-propan-2-yl-phenoxy)propyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-ethyl-5-[3-(4-isopropyl-3-methyl-phenoxy)propyl]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-ethyl-5-[3-(3-methyl-4-propan-2-ylphenoxy)propyl]-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-ethyl-5-[3-(3-methyl-4-propan-2-ylphenoxy)propyl]-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-ethyl-5-[3-(4-isopropyl-3-methyl-phenoxy)propyl]-1,2,4-triazol-3-yl]thio]acetate Formula: C19H26N3O3S- MolecularWeight: 376.49304

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)[O-])CCCOC2=CC(=C(C=C2)C(C)C)C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)[O-])CCCOC2=CC(=C(C=C2)C(C)C)C

InChI

InChI=1S/C19H27N3O3S/c1-5-22-17(20-21-19(22)26-12-18(23)24)7-6-10-25-15-8-9-16(13(2)3)14(4)11-15/h8-9,11,13H,5-7,10,12H2,1-4H3,(H,23,24)/p-1