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

Systemtic Name: 2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[(5-isobutyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetic acid CAS Name: 2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[(5-isobutyl-1H-1,2,4-triazol-3-yl)thio]acetic acid Formula: C8H13N3O2S MolecularWeight: 215.27272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC(=NN1)SCC(=O)O

Isomeric SMILES

CC(C)CC1=NC(=NN1)SCC(=O)O

InChI

InChI=1S/C8H13N3O2S/c1-5(2)3-6-9-8(11-10-6)14-4-7(12)13/h5H,3-4H2,1-2H3,(H,12,13)(H,9,10,11)