2-[(4-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]ethanoic acid

Systemtic Name: 2-[(4-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(4-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid CAS Name: 2-[(4-tert-butyl-1,2,4-triazol-3-yl)thio]acetic acid IUPAC Name: 2-[(4-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid Traditional Name: 2-[(4-tert-butyl-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)(C)N1C=NN=C1SCC(=O)O

Isomeric SMILES

CC(C)(C)N1C=NN=C1SCC(=O)O

InChI

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