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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)C(=O)CSC2=NC=NN2

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)C(=O)CSC2=NC=NN2

InChI

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