2-[(4-butyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate

Systemtic Name: 2-[(4-butyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: 2-[(4-butyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(4-butyl-1,2,4-triazol-3-yl)thio]acetate IUPAC Name: 2-[(4-butyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4-butyl-1,2,4-triazol-3-yl)thio]acetate Formula: C8H12N3O2S- MolecularWeight: 214.26478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NN=C1SCC(=O)[O-]

Isomeric SMILES

CCCCN1C=NN=C1SCC(=O)[O-]

InChI

InChI=1S/C8H13N3O2S/c1-2-3-4-11-6-9-10-8(11)14-5-7(12)13/h6H,2-5H2,1H3,(H,12,13)/p-1