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

Systemtic Name: 2-[[4-(3-ethoxypropyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(3-ethoxypropyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(3-ethoxypropyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(3-ethoxypropyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(3-ethoxypropyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C13H17N3O3S2 MolecularWeight: 327.42238

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=NN=C1SCC(=O)O)C2=CC=CS2

Isomeric SMILES

CCOCCCN1C(=NN=C1SCC(=O)O)C2=CC=CS2

InChI

InChI=1S/C13H17N3O3S2/c1-2-19-7-4-6-16-12(10-5-3-8-20-10)14-15-13(16)21-9-11(17)18/h3,5,8H,2,4,6-7,9H2,1H3,(H,17,18)