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

Systemtic Name: 2-[[5-(dibutylamino)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-(dibutylamino)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-(dibutylamino)-4-ethyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-(dibutylamino)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-(dibutylamino)-4-ethyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C14H26N4O2S MolecularWeight: 314.44684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C1=NN=C(N1CC)SCC(=O)O

Isomeric SMILES

CCCCN(CCCC)C1=NN=C(N1CC)SCC(=O)O

InChI

InChI=1S/C14H26N4O2S/c1-4-7-9-17(10-8-5-2)13-15-16-14(18(13)6-3)21-11-12(19)20/h4-11H2,1-3H3,(H,19,20)