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

Systemtic Name: 2-[[4-[(2S)-butan-2-yl]-5-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-methyl-4-[(1S)-1-methylpropyl]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-[(2S)-butan-2-yl]-5-methyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-[(2S)-butan-2-yl]-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-methyl-4-[(1S)-1-methylpropyl]-1,2,4-triazol-3-yl]thio]acetate Formula: C9H14N3O2S- MolecularWeight: 228.29136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H15N3O2S/c1-4-6(2)12-7(3)10-11-9(12)15-5-8(13)14/h6H,4-5H2,1-3H3,(H,13,14)/p-1/t6-/m0/s1