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

Systemtic Name: 2-[[4-(3-methoxypropyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(3-methoxypropyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(3-methoxypropyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(3-methoxypropyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(3-methoxypropyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C12H15N3O3S2 MolecularWeight: 313.3958

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=NN=C1SCC(=O)O)C2=CC=CS2

Isomeric SMILES

COCCCN1C(=NN=C1SCC(=O)O)C2=CC=CS2

InChI

InChI=1S/C12H15N3O3S2/c1-18-6-3-5-15-11(9-4-2-7-19-9)13-14-12(15)20-8-10(16)17/h2,4,7H,3,5-6,8H2,1H3,(H,16,17)