5-[6-bromanyl-2-(4-tert-butylphenyl)quinolin-4-yl]-4-ethyl-1,2,4-triazole-3-thiolate

Systemtic Name: 5-[6-bromanyl-2-(4-tert-butylphenyl)quinolin-4-yl]-4-ethyl-1,2,4-triazole-3-thiolate Openeye Name: 5-[6-bromo-2-(4-tert-butylphenyl)-4-quinolyl]-4-ethyl-1,2,4-triazole-3-thiolate CAS Name: 5-[6-bromo-2-(4-tert-butylphenyl)-4-quinolinyl]-4-ethyl-1,2,4-triazole-3-thiolate IUPAC Name: 5-[6-bromo-2-(4-tert-butylphenyl)quinolin-4-yl]-4-ethyl-1,2,4-triazole-3-thiolate Traditional Name: 5-[6-bromo-2-(4-tert-butylphenyl)-4-quinolyl]-4-ethyl-1,2,4-triazole-3-thiolate Formula: C23H22BrN4S- MolecularWeight: 466.41658

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1[S-])C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CCN1C(=NN=C1[S-])C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C23H23BrN4S/c1-5-28-21(26-27-22(28)29)18-13-20(25-19-11-10-16(24)12-17(18)19)14-6-8-15(9-7-14)23(2,3)4/h6-13H,5H2,1-4H3,(H,27,29)/p-1