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

Systemtic Name: 2-[(4-butyl-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(4-butyl-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid CAS Name: 2-[(4-butyl-5-ethyl-1,2,4-triazol-3-yl)thio]acetic acid IUPAC Name: 2-[(4-butyl-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid Traditional Name: 2-[(4-butyl-5-ethyl-1,2,4-triazol-3-yl)thio]acetic acid Formula: C10H17N3O2S MolecularWeight: 243.32588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC(=O)O)CC

Isomeric SMILES

CCCCN1C(=NN=C1SCC(=O)O)CC

InChI

InChI=1S/C10H17N3O2S/c1-3-5-6-13-8(4-2)11-12-10(13)16-7-9(14)15/h3-7H2,1-2H3,(H,14,15)