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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCC(=O)O)COC2=CC=CC=C2

Isomeric SMILES

CN1C(=NN=C1SCCC(=O)O)COC2=CC=CC=C2

InChI

InChI=1S/C13H15N3O3S/c1-16-11(9-19-10-5-3-2-4-6-10)14-15-13(16)20-8-7-12(17)18/h2-6H,7-9H2,1H3,(H,17,18)