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

Systemtic Name: 2-[[4-[(2S)-butan-2-yl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-[(1S)-1-methylpropyl]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-[(2S)-butan-2-yl]-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-[(2S)-butan-2-yl]-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-[(1S)-1-methylpropyl]-1,2,4-triazol-3-yl]thio]acetate Formula: C8H12N3O2S- MolecularWeight: 214.26478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H13N3O2S/c1-3-6(2)11-5-9-10-8(11)14-4-7(12)13/h5-6H,3-4H2,1-2H3,(H,12,13)/p-1/t6-/m0/s1