1-phenyl-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-phenyl-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-phenyl-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-phenyl-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-phenyl-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-phenyl-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thio]ethanone Formula: C11H8F3N3OS MolecularWeight: 287.26093

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=NNC(=N2)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=NNC(=N2)C(F)(F)F

InChI

InChI=1S/C11H8F3N3OS/c12-11(13,14)9-15-10(17-16-9)19-6-8(18)7-4-2-1-3-5-7/h1-5H,6H2,(H,15,16,17)