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

Systemtic Name: 5-[(2-bromanyl-4-ethyl-phenoxy)methyl]-4-ethyl-1,2,4-triazole-3-thiolate Openeye Name: 5-[(2-bromo-4-ethyl-phenoxy)methyl]-4-ethyl-1,2,4-triazole-3-thiolate CAS Name: 5-[(2-bromo-4-ethylphenoxy)methyl]-4-ethyl-1,2,4-triazole-3-thiolate IUPAC Name: 5-[(2-bromo-4-ethylphenoxy)methyl]-4-ethyl-1,2,4-triazole-3-thiolate Traditional Name: 5-[(2-bromo-4-ethyl-phenoxy)methyl]-4-ethyl-1,2,4-triazole-3-thiolate Formula: C13H15BrN3OS- MolecularWeight: 341.2467

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCC2=NN=C(N2CC)[S-])Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCC2=NN=C(N2CC)[S-])Br

InChI

InChI=1S/C13H16BrN3OS/c1-3-9-5-6-11(10(14)7-9)18-8-12-15-16-13(19)17(12)4-2/h5-7H,3-4,8H2,1-2H3,(H,16,19)/p-1