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

Systemtic Name: 2-[[4-(3-ethoxypropyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(3-ethoxypropyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(3-ethoxypropyl)-5-propyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(3-ethoxypropyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(3-ethoxypropyl)-5-propyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C12H21N3O3S MolecularWeight: 287.37844

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1CCCOCC)SCC(=O)O

Isomeric SMILES

CCCC1=NN=C(N1CCCOCC)SCC(=O)O

InChI

InChI=1S/C12H21N3O3S/c1-3-6-10-13-14-12(19-9-11(16)17)15(10)7-5-8-18-4-2/h3-9H2,1-2H3,(H,16,17)