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

Systemtic Name: 3-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: 3-[(5-isobutyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoate CAS Name: 3-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]thio]propanoate IUPAC Name: 3-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 3-[(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)SCCC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C9H15N3O2S/c1-6(2)5-7-10-9(12-11-7)15-4-3-8(13)14/h6H,3-5H2,1-2H3,(H,13,14)(H,10,11,12)/p-1