4-(4-bromophenyl)-5-(4-tert-butylphenyl)-1,2,4-triazole-3-thiolate

Systemtic Name: 4-(4-bromophenyl)-5-(4-tert-butylphenyl)-1,2,4-triazole-3-thiolate Openeye Name: 4-(4-bromophenyl)-5-(4-tert-butylphenyl)-1,2,4-triazole-3-thiolate CAS Name: 4-(4-bromophenyl)-5-(4-tert-butylphenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-(4-bromophenyl)-5-(4-tert-butylphenyl)-1,2,4-triazole-3-thiolate Traditional Name: 4-(4-bromophenyl)-5-(4-tert-butylphenyl)-1,2,4-triazole-3-thiolate Formula: C18H17BrN3S- MolecularWeight: 387.31668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)Br)[S-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)Br)[S-]

InChI

InChI=1S/C18H18BrN3S/c1-18(2,3)13-6-4-12(5-7-13)16-20-21-17(23)22(16)15-10-8-14(19)9-11-15/h4-11H,1-3H3,(H,21,23)/p-1