2-[[5-(1,3-benzodioxol-5-yloxymethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-(1,3-benzodioxol-5-yloxymethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-(1,3-benzodioxol-5-yloxymethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-(1,3-benzodioxol-5-yloxymethyl)-4-ethyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-(1,3-benzodioxol-5-yloxymethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-(1,3-benzodioxol-5-yloxymethyl)-4-ethyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C14H15N3O5S MolecularWeight: 337.351

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)O)COC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)O)COC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C14H15N3O5S/c1-2-17-12(15-16-14(17)23-7-13(18)19)6-20-9-3-4-10-11(5-9)22-8-21-10/h3-5H,2,6-8H2,1H3,(H,18,19)