1-[2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylethyl]-1,2,3-triazole-4-carboxylate

Systemtic Name: 1-[2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylethyl]-1,2,3-triazole-4-carboxylate Openeye Name: 1-[2-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]ethyl]triazole-4-carboxylate CAS Name: 1-[2-[[5-(trifluoromethyl)-2-pyridinyl]thio]ethyl]-4-triazolecarboxylate IUPAC Name: 1-[2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylethyl]triazole-4-carboxylate Traditional Name: 1-[2-[[5-(trifluoromethyl)-2-pyridyl]thio]ethyl]triazole-4-carboxylate Formula: C11H8F3N4O2S- MolecularWeight: 317.26703

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC=C1C(F)(F)F)SCCN2C=C(N=N2)C(=O)[O-]

Isomeric SMILES

C1=CC(=NC=C1C(F)(F)F)SCCN2C=C(N=N2)C(=O)[O-]

InChI

InChI=1S/C11H9F3N4O2S/c12-11(13,14)7-1-2-9(15-5-7)21-4-3-18-6-8(10(19)20)16-17-18/h1-2,5-6H,3-4H2,(H,19,20)/p-1