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

Systemtic Name: 2-[(5-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(5-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetic acid CAS Name: 2-[(5-butyl-1H-1,2,4-triazol-3-yl)thio]acetic acid IUPAC Name: 2-[(5-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetic acid Traditional Name: 2-[(5-butyl-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:

CCCCC1=NC(=NN1)SCC(=O)O

Isomeric SMILES

CCCCC1=NC(=NN1)SCC(=O)O

InChI

InChI=1S/C8H13N3O2S/c1-2-3-4-6-9-8(11-10-6)14-5-7(12)13/h2-5H2,1H3,(H,12,13)(H,9,10,11)