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

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

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

Isomeric SMILES

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

InChI

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