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

Systemtic Name: 2-[(4-butyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: 2-[(4-butyl-5-isopropyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(4-butyl-5-propan-2-yl-1,2,4-triazol-3-yl)thio]acetate IUPAC Name: 2-[(4-butyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4-butyl-5-isopropyl-1,2,4-triazol-3-yl)thio]acetate Formula: C11H18N3O2S- MolecularWeight: 256.34452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H19N3O2S/c1-4-5-6-14-10(8(2)3)12-13-11(14)17-7-9(15)16/h8H,4-7H2,1-3H3,(H,15,16)/p-1