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

Systemtic Name: 2-[(4-pentyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoic acid Openeye Name: 2-[[4-pentyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[(4-pentyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]acetic acid IUPAC Name: 2-[(4-pentyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetic acid Traditional Name: 2-[[4-amyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C13H17N3O2S2 MolecularWeight: 311.42298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NN=C1SCC(=O)O)C2=CC=CS2

Isomeric SMILES

CCCCCN1C(=NN=C1SCC(=O)O)C2=CC=CS2

InChI

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