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

Systemtic Name: 4-phenyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazole-3-thiolate Openeye Name: 4-phenyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazole-3-thiolate CAS Name: 4-phenyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazole-3-thiolate IUPAC Name: 4-phenyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazole-3-thiolate Traditional Name: 4-phenyl-5-[3-(trifluoromethyl)benzyl]-1,2,4-triazole-3-thiolate Formula: C16H11F3N3S- MolecularWeight: 334.33885

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2[S-])CC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2[S-])CC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C16H12F3N3S/c17-16(18,19)12-6-4-5-11(9-12)10-14-20-21-15(23)22(14)13-7-2-1-3-8-13/h1-9H,10H2,(H,21,23)/p-1