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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H21N3O2S/c1-5-6-9(4)15-11(8(2)3)13-14-12(15)18-7-10(16)17/h8-9H,5-7H2,1-4H3,(H,16,17)/p-1/t9-/m0/s1