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

Systemtic Name: 2-[(4-pentyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: 2-[(4-pentyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(4-pentyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetate IUPAC Name: 2-[(4-pentyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4-amyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetate Formula: C15H18N3O2S- MolecularWeight: 304.38732

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NN=C1SCC(=O)[O-])C2=CC=CC=C2

Isomeric SMILES

CCCCCN1C(=NN=C1SCC(=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C15H19N3O2S/c1-2-3-7-10-18-14(12-8-5-4-6-9-12)16-17-15(18)21-11-13(19)20/h4-6,8-9H,2-3,7,10-11H2,1H3,(H,19,20)/p-1