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

Systemtic Name: 2-[[4-azanyl-5-(2,2-dimethylpropyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-amino-5-(2,2-dimethylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-amino-5-(2,2-dimethylpropyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-amino-5-(2,2-dimethylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[(4-amino-5-neopentyl-1,2,4-triazol-3-yl)thio]acetic acid Formula: C9H16N4O2S MolecularWeight: 244.31394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC1=NN=C(N1N)SCC(=O)O

Isomeric SMILES

CC(C)(C)CC1=NN=C(N1N)SCC(=O)O

InChI

InChI=1S/C9H16N4O2S/c1-9(2,3)4-6-11-12-8(13(6)10)16-5-7(14)15/h4-5,10H2,1-3H3,(H,14,15)