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

Systemtic Name: 2-[[5-cyclopropyl-4-[(2S)-pentan-2-yl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-cyclopropyl-4-[(1S)-1-methylbutyl]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-cyclopropyl-4-[(2S)-pentan-2-yl]-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-cyclopropyl-4-[(2S)-pentan-2-yl]-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-cyclopropyl-4-[(1S)-1-methylbutyl]-1,2,4-triazol-3-yl]thio]acetate Formula: C12H18N3O2S- MolecularWeight: 268.35522

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)N1C(=NN=C1SCC(=O)[O-])C2CC2

Isomeric SMILES

CCC[C@H](C)N1C(=NN=C1SCC(=O)[O-])C2CC2

InChI

InChI=1S/C12H19N3O2S/c1-3-4-8(2)15-11(9-5-6-9)13-14-12(15)18-7-10(16)17/h8-9H,3-7H2,1-2H3,(H,16,17)/p-1/t8-/m0/s1