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

Systemtic Name: 2-[[5-[(3-methoxyphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Openeye Name: 2-[[5-[(3-methoxyphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid CAS Name: 2-[[5-[(3-methoxyphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]propanoic acid IUPAC Name: 2-[[5-[(3-methoxyphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Traditional Name: 2-[[5-[(3-methoxyphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]propionic acid Formula: C14H17N3O4S MolecularWeight: 323.36748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=NN=C(N1C)COC2=CC=CC(=C2)OC

Isomeric SMILES

CC(C(=O)O)SC1=NN=C(N1C)COC2=CC=CC(=C2)OC

InChI

InChI=1S/C14H17N3O4S/c1-9(13(18)19)22-14-16-15-12(17(14)2)8-21-11-6-4-5-10(7-11)20-3/h4-7,9H,8H2,1-3H3,(H,18,19)