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

Systemtic Name: 3-[[5-[(3-methoxyphenoxy)methyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Openeye Name: 3-[[5-[(3-methoxyphenoxy)methyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid CAS Name: 3-[[5-[(3-methoxyphenoxy)methyl]-4-phenethyl-1,2,4-triazol-3-yl]thio]propanoic acid IUPAC Name: 3-[[5-[(3-methoxyphenoxy)methyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Traditional Name: 3-[[5-[(3-methoxyphenoxy)methyl]-4-phenethyl-1,2,4-triazol-3-yl]thio]propionic acid Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)OCC2=NN=C(N2CCC3=CC=CC=C3)SCCC(=O)O

Isomeric SMILES

COC1=CC(=CC=C1)OCC2=NN=C(N2CCC3=CC=CC=C3)SCCC(=O)O

InChI

InChI=1S/C21H23N3O4S/c1-27-17-8-5-9-18(14-17)28-15-19-22-23-21(29-13-11-20(25)26)24(19)12-10-16-6-3-2-4-7-16/h2-9,14H,10-13,15H2,1H3,(H,25,26)