5-propyl-4-[3-(trifluoromethyloxy)phenyl]-1,2,4-triazole-3-thiolate

Systemtic Name: 5-propyl-4-[3-(trifluoromethyloxy)phenyl]-1,2,4-triazole-3-thiolate Openeye Name: 5-propyl-4-[3-(trifluoromethoxy)phenyl]-1,2,4-triazole-3-thiolate CAS Name: 5-propyl-4-[3-(trifluoromethoxy)phenyl]-1,2,4-triazole-3-thiolate IUPAC Name: 5-propyl-4-[3-(trifluoromethoxy)phenyl]-1,2,4-triazole-3-thiolate Traditional Name: 5-propyl-4-[3-(trifluoromethoxy)phenyl]-1,2,4-triazole-3-thiolate Formula: C12H11F3N3OS- MolecularWeight: 302.29545

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1C2=CC(=CC=C2)OC(F)(F)F)[S-]

Isomeric SMILES

CCCC1=NN=C(N1C2=CC(=CC=C2)OC(F)(F)F)[S-]

InChI

InChI=1S/C12H12F3N3OS/c1-2-4-10-16-17-11(20)18(10)8-5-3-6-9(7-8)19-12(13,14)15/h3,5-7H,2,4H2,1H3,(H,17,20)/p-1