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

Systemtic Name: 5-pyridin-4-yl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-thiolate Openeye Name: 5-(4-pyridyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-thiolate CAS Name: 5-pyridin-4-yl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-thiolate IUPAC Name: 5-pyridin-4-yl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-thiolate Traditional Name: 5-(4-pyridyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-thiolate Formula: C14H8F3N4S- MolecularWeight: 321.30033

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H9F3N4S/c15-14(16,17)10-2-1-3-11(8-10)21-12(19-20-13(21)22)9-4-6-18-7-5-9/h1-8H,(H,20,22)/p-1