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

Systemtic Name: 2-[(4-pentan-3-yl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: 2-[[4-(1-ethylpropyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[(4-pentan-3-yl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]acetate IUPAC Name: 2-[(4-pentan-3-yl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[[4-(1-ethylpropyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C13H16N3O2S2- MolecularWeight: 310.41504

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N1C(=NN=C1SCC(=O)[O-])C2=CC=CS2

Isomeric SMILES

CCC(CC)N1C(=NN=C1SCC(=O)[O-])C2=CC=CS2

InChI

InChI=1S/C13H17N3O2S2/c1-3-9(4-2)16-12(10-6-5-7-19-10)14-15-13(16)20-8-11(17)18/h5-7,9H,3-4,8H2,1-2H3,(H,17,18)/p-1