5-[(2-bromanyl-4-propyl-phenoxy)methyl]-4-ethyl-1,2,4-triazole-3-thiolate

Systemtic Name: 5-[(2-bromanyl-4-propyl-phenoxy)methyl]-4-ethyl-1,2,4-triazole-3-thiolate Openeye Name: 5-[(2-bromo-4-propyl-phenoxy)methyl]-4-ethyl-1,2,4-triazole-3-thiolate CAS Name: 5-[(2-bromo-4-propylphenoxy)methyl]-4-ethyl-1,2,4-triazole-3-thiolate IUPAC Name: 5-[(2-bromo-4-propylphenoxy)methyl]-4-ethyl-1,2,4-triazole-3-thiolate Traditional Name: 5-[(2-bromo-4-propyl-phenoxy)methyl]-4-ethyl-1,2,4-triazole-3-thiolate Formula: C14H17BrN3OS- MolecularWeight: 355.27328

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)OCC2=NN=C(N2CC)[S-])Br

Isomeric SMILES

CCCC1=CC(=C(C=C1)OCC2=NN=C(N2CC)[S-])Br

InChI

InChI=1S/C14H18BrN3OS/c1-3-5-10-6-7-12(11(15)8-10)19-9-13-16-17-14(20)18(13)4-2/h6-8H,3-5,9H2,1-2H3,(H,17,20)/p-1