4-phenyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazole-3-thiolate

Systemtic Name: 4-phenyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazole-3-thiolate Openeye Name: 4-phenyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazole-3-thiolate CAS Name: 4-phenyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazole-3-thiolate IUPAC Name: 4-phenyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazole-3-thiolate Traditional Name: 4-phenyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazole-3-thiolate Formula: C16H11F3N3OS- MolecularWeight: 350.33825

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2[S-])COC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2[S-])COC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C16H12F3N3OS/c17-16(18,19)11-5-4-8-13(9-11)23-10-14-20-21-15(24)22(14)12-6-2-1-3-7-12/h1-9H,10H2,(H,21,24)/p-1