5-(4-tert-butylphenyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-thiolate

Systemtic Name: 5-(4-tert-butylphenyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-thiolate Openeye Name: 5-(4-tert-butylphenyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-thiolate CAS Name: 5-(4-tert-butylphenyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-thiolate IUPAC Name: 5-(4-tert-butylphenyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-thiolate Traditional Name: 5-(4-tert-butylphenyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-thiolate Formula: C19H17F3N3S- MolecularWeight: 376.41859

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18F3N3S/c1-18(2,3)13-9-7-12(8-10-13)16-23-24-17(26)25(16)15-6-4-5-14(11-15)19(20,21)22/h4-11H,1-3H3,(H,24,26)/p-1