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

Systemtic Name: 3-[[4-(2-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Openeye Name: 3-[[4-(2-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid CAS Name: 3-[[4-(2-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]thio]propanoic acid IUPAC Name: 3-[[4-(2-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Traditional Name: 3-[[4-(2-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]thio]propionic acid Formula: C13H15N3O3S MolecularWeight: 293.3415

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2OC)SCCC(=O)O

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2OC)SCCC(=O)O

InChI

InChI=1S/C13H15N3O3S/c1-9-14-15-13(20-8-7-12(17)18)16(9)10-5-3-4-6-11(10)19-2/h3-6H,7-8H2,1-2H3,(H,17,18)