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

Systemtic Name: 2-[[4-[(2S)-pentan-2-yl]-5-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-[(1S)-1-methylbutyl]-5-propyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-[(2S)-pentan-2-yl]-5-propyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-[(2S)-pentan-2-yl]-5-propyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-[(1S)-1-methylbutyl]-5-propyl-1,2,4-triazol-3-yl]thio]acetate Formula: C12H20N3O2S- MolecularWeight: 270.3711

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1C(C)CCC)SCC(=O)[O-]

Isomeric SMILES

CCCC1=NN=C(N1[C@@H](C)CCC)SCC(=O)[O-]

InChI

InChI=1S/C12H21N3O2S/c1-4-6-9(3)15-10(7-5-2)13-14-12(15)18-8-11(16)17/h9H,4-8H2,1-3H3,(H,16,17)/p-1/t9-/m0/s1