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

Systemtic Name: 2-[[4-[(2S)-butan-2-yl]-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-isopropyl-4-[(1S)-1-methylpropyl]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-[(2S)-butan-2-yl]-5-propan-2-yl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-[(2S)-butan-2-yl]-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-isopropyl-4-[(1S)-1-methylpropyl]-1,2,4-triazol-3-yl]thio]acetate Formula: C11H18N3O2S- MolecularWeight: 256.34452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H19N3O2S/c1-5-8(4)14-10(7(2)3)12-13-11(14)17-6-9(15)16/h7-8H,5-6H2,1-4H3,(H,15,16)/p-1/t8-/m0/s1