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

Systemtic Name: 2-[(5-cyclopropyl-4-pentyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: 2-[(5-cyclopropyl-4-pentyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(5-cyclopropyl-4-pentyl-1,2,4-triazol-3-yl)thio]acetate IUPAC Name: 2-[(5-cyclopropyl-4-pentyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4-amyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]acetate Formula: C12H18N3O2S- MolecularWeight: 268.35522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NN=C1SCC(=O)[O-])C2CC2

Isomeric SMILES

CCCCCN1C(=NN=C1SCC(=O)[O-])C2CC2

InChI

InChI=1S/C12H19N3O2S/c1-2-3-4-7-15-11(9-5-6-9)13-14-12(15)18-8-10(16)17/h9H,2-8H2,1H3,(H,16,17)/p-1