(2R)-2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoate

Systemtic Name: (2R)-2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: (2R)-2-[(5-isobutyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoate CAS Name: (2R)-2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]thio]propanoate IUPAC Name: (2R)-2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: (2R)-2-[(5-isobutyl-1H-1,2,4-triazol-3-yl)thio]propionate Formula: C9H14N3O2S- MolecularWeight: 228.29136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC(=NN1)SC(C)C(=O)[O-]

Isomeric SMILES

C[C@H](C(=O)[O-])SC1=NNC(=N1)CC(C)C

InChI

InChI=1S/C9H15N3O2S/c1-5(2)4-7-10-9(12-11-7)15-6(3)8(13)14/h5-6H,4H2,1-3H3,(H,13,14)(H,10,11,12)/p-1/t6-/m1/s1