2-[(4-butyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate

Systemtic Name: 2-[(4-butyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: 2-[(4-butyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(4-butyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetate IUPAC Name: 2-[(4-butyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4-butyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetate Formula: C14H16N3O2S- MolecularWeight: 290.36074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC(=O)[O-])C2=CC=CC=C2

Isomeric SMILES

CCCCN1C(=NN=C1SCC(=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C14H17N3O2S/c1-2-3-9-17-13(11-7-5-4-6-8-11)15-16-14(17)20-10-12(18)19/h4-8H,2-3,9-10H2,1H3,(H,18,19)/p-1