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

Systemtic Name: 2-[(4-pentan-2-yl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoic acid Openeye Name: 2-[[4-(1-methylbutyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[(4-pentan-2-yl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]acetic acid IUPAC Name: 2-[(4-pentan-2-yl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetic acid Traditional Name: 2-[[4-(1-methylbutyl)-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:

CCCC(C)N1C(=NN=C1SCC(=O)O)C2=CC=CS2

Isomeric SMILES

CCCC(C)N1C(=NN=C1SCC(=O)O)C2=CC=CS2

InChI

InChI=1S/C13H17N3O2S2/c1-3-5-9(2)16-12(10-6-4-7-19-10)14-15-13(16)20-8-11(17)18/h4,6-7,9H,3,5,8H2,1-2H3,(H,17,18)