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

Systemtic Name: 5-[3-(2-bromanyl-4-tert-butyl-phenoxy)propyl]-4-methyl-1,2,4-triazole-3-thiolate Openeye Name: 5-[3-(2-bromo-4-tert-butyl-phenoxy)propyl]-4-methyl-1,2,4-triazole-3-thiolate CAS Name: 5-[3-(2-bromo-4-tert-butylphenoxy)propyl]-4-methyl-1,2,4-triazole-3-thiolate IUPAC Name: 5-[3-(2-bromo-4-tert-butylphenoxy)propyl]-4-methyl-1,2,4-triazole-3-thiolate Traditional Name: 5-[3-(2-bromo-4-tert-butyl-phenoxy)propyl]-4-methyl-1,2,4-triazole-3-thiolate Formula: C16H21BrN3OS- MolecularWeight: 383.32644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OCCCC2=NN=C(N2C)[S-])Br

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OCCCC2=NN=C(N2C)[S-])Br

InChI

InChI=1S/C16H22BrN3OS/c1-16(2,3)11-7-8-13(12(17)10-11)21-9-5-6-14-18-19-15(22)20(14)4/h7-8,10H,5-6,9H2,1-4H3,(H,19,22)/p-1