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

Systemtic Name: 2-[[4-[(2S)-butan-2-yl]-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-[(1S)-1-methylpropyl]-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-[(2S)-butan-2-yl]-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-[(2S)-butan-2-yl]-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-[(1S)-1-methylpropyl]-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C12H14N3O2S2- MolecularWeight: 296.38846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O2S2/c1-3-8(2)15-11(9-5-4-6-18-9)13-14-12(15)19-7-10(16)17/h4-6,8H,3,7H2,1-2H3,(H,16,17)/p-1/t8-/m0/s1