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

Systemtic Name: 2-[[4-[(2R)-3-methylbutan-2-yl]-5-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-[(1R)-1,2-dimethylpropyl]-5-propyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-[(2R)-3-methylbutan-2-yl]-5-propyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-[(2R)-3-methylbutan-2-yl]-5-propyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-[(1R)-1,2-dimethylpropyl]-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)C(C)C)SCC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C12H21N3O2S/c1-5-6-10-13-14-12(18-7-11(16)17)15(10)9(4)8(2)3/h8-9H,5-7H2,1-4H3,(H,16,17)/p-1/t9-/m1/s1