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

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

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

Isomeric SMILES

C[C@@H](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)/p-1/t9-/m0/s1