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

Systemtic Name: 3-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]pentane-2,4-dione Openeye Name: 3-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]pentane-2,4-dione CAS Name: 3-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thio]pentane-2,4-dione IUPAC Name: 3-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]pentane-2,4-dione Traditional Name: 3-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thio]pentane-2,4-dione Formula: C8H8F3N3O2S MolecularWeight: 267.22823

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=O)C)SC1=NNC(=N1)C(F)(F)F

Isomeric SMILES

CC(=O)C(C(=O)C)SC1=NNC(=N1)C(F)(F)F

InChI

InChI=1S/C8H8F3N3O2S/c1-3(15)5(4(2)16)17-7-12-6(13-14-7)8(9,10)11/h5H,1-2H3,(H,12,13,14)