4-ethyl-5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-triazole-3-thiolate

Systemtic Name: 4-ethyl-5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-triazole-3-thiolate Openeye Name: 4-ethyl-5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-triazole-3-thiolate CAS Name: 4-ethyl-5-[1-phenyl-5-(trifluoromethyl)-4-pyrazolyl]-1,2,4-triazole-3-thiolate IUPAC Name: 4-ethyl-5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-triazole-3-thiolate Traditional Name: 4-ethyl-5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-triazole-3-thiolate Formula: C14H11F3N5S- MolecularWeight: 338.33085

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1[S-])C2=C(N(N=C2)C3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

CCN1C(=NN=C1[S-])C2=C(N(N=C2)C3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C14H12F3N5S/c1-2-21-12(19-20-13(21)23)10-8-18-22(11(10)14(15,16)17)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,20,23)/p-1