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

Systemtic Name: 5-[(4-bromanyl-2-tert-butyl-phenoxy)methyl]-4-ethyl-1,2,4-triazole-3-thiolate Openeye Name: 5-[(4-bromo-2-tert-butyl-phenoxy)methyl]-4-ethyl-1,2,4-triazole-3-thiolate CAS Name: 5-[(4-bromo-2-tert-butylphenoxy)methyl]-4-ethyl-1,2,4-triazole-3-thiolate IUPAC Name: 5-[(4-bromo-2-tert-butylphenoxy)methyl]-4-ethyl-1,2,4-triazole-3-thiolate Traditional Name: 5-[(4-bromo-2-tert-butyl-phenoxy)methyl]-4-ethyl-1,2,4-triazole-3-thiolate Formula: C15H19BrN3OS- MolecularWeight: 369.29986

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1[S-])COC2=C(C=C(C=C2)Br)C(C)(C)C

Isomeric SMILES

CCN1C(=NN=C1[S-])COC2=C(C=C(C=C2)Br)C(C)(C)C

InChI

InChI=1S/C15H20BrN3OS/c1-5-19-13(17-18-14(19)21)9-20-12-7-6-10(16)8-11(12)15(2,3)4/h6-8H,5,9H2,1-4H3,(H,18,21)/p-1