2-[(4-butyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate

Systemtic Name: 2-[(4-butyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: 2-[[4-butyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[(4-butyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]acetate IUPAC Name: 2-[(4-butyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[[4-butyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C12H14N3O2S2- MolecularWeight: 296.38846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC(=O)[O-])C2=CC=CS2

Isomeric SMILES

CCCCN1C(=NN=C1SCC(=O)[O-])C2=CC=CS2

InChI

InChI=1S/C12H15N3O2S2/c1-2-3-6-15-11(9-5-4-7-18-9)13-14-12(15)19-8-10(16)17/h4-5,7H,2-3,6,8H2,1H3,(H,16,17)/p-1