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

Systemtic Name: 3-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Openeye Name: 3-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoic acid CAS Name: 3-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]propanoic acid IUPAC Name: 3-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Traditional Name: 3-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]propionic acid Formula: C12H13N3O3S MolecularWeight: 279.31492

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=NN2)SCCC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=NN2)SCCC(=O)O

InChI

InChI=1S/C12H13N3O3S/c1-18-9-4-2-8(3-5-9)11-13-12(15-14-11)19-7-6-10(16)17/h2-5H,6-7H2,1H3,(H,16,17)(H,13,14,15)