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

Systemtic Name: 2-[[5-[(3-methoxyphenoxy)methyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-[(3-methoxyphenoxy)methyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[(3-methoxyphenoxy)methyl]-4-phenethyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-[(3-methoxyphenoxy)methyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-[(3-methoxyphenoxy)methyl]-4-phenethyl-1,2,4-triazol-3-yl]thio]acetate Formula: C20H20N3O4S- MolecularWeight: 398.4555

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)OCC2=NN=C(N2CCC3=CC=CC=C3)SCC(=O)[O-]

Isomeric SMILES

COC1=CC(=CC=C1)OCC2=NN=C(N2CCC3=CC=CC=C3)SCC(=O)[O-]

InChI

InChI=1S/C20H21N3O4S/c1-26-16-8-5-9-17(12-16)27-13-18-21-22-20(28-14-19(24)25)23(18)11-10-15-6-3-2-4-7-15/h2-9,12H,10-11,13-14H2,1H3,(H,24,25)/p-1