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

Systemtic Name: 2-[[5-(4-propoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-(4-propoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-(4-propoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-(4-propoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-(4-propoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]acetic acid Formula: C13H15N3O3S MolecularWeight: 293.3415

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)O

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)O

InChI

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