S-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl] 5-(2-phenylethynyl)furan-2-carbothioate

Systemtic Name: S-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl] 5-(2-phenylethynyl)furan-2-carbothioate Openeye Name: S-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl] 5-(2-phenylethynyl)furan-2-carbothioate CAS Name: 5-(2-phenylethynyl)-2-furancarbothioic acid S-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl] ester IUPAC Name: S-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl] 5-(2-phenylethynyl)furan-2-carbothioate Traditional Name: 5-(2-phenylethynyl)furan-2-carbothioic acid S-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl] ester Formula: C16H8F3N3O2S MolecularWeight: 363.31383

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CC=C(O2)C(=O)SC3=NNC(=N3)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC=C(O2)C(=O)SC3=NNC(=N3)C(F)(F)F

InChI

InChI=1S/C16H8F3N3O2S/c17-16(18,19)14-20-15(22-21-14)25-13(23)12-9-8-11(24-12)7-6-10-4-2-1-3-5-10/h1-5,8-9H,(H,20,21,22)