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

Systemtic Name: 2-[[5-[(2-methoxyphenoxy)methyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-[(2-methoxyphenoxy)methyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-[(2-methoxyphenoxy)methyl]-4-phenethyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-[(2-methoxyphenoxy)methyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-[(2-methoxyphenoxy)methyl]-4-phenethyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OCC2=NN=C(N2CCC3=CC=CC=C3)SCC(=O)O

Isomeric SMILES

COC1=CC=CC=C1OCC2=NN=C(N2CCC3=CC=CC=C3)SCC(=O)O

InChI

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