3-[[5-(4-ethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoate

Systemtic Name: 3-[[5-(4-ethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: 3-[[5-(4-ethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 3-[[5-(4-ethoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]propanoate IUPAC Name: 3-[[5-(4-ethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 3-[(5-p-phenetyl-1H-1,2,4-triazol-3-yl)thio]propionate Formula: C13H14N3O3S- MolecularWeight: 292.33356

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC(=NN2)SCCC(=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC(=NN2)SCCC(=O)[O-]

InChI

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