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

Systemtic Name: 3-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]pentane-2,4-dione Openeye Name: 3-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]pentane-2,4-dione CAS Name: 3-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]pentane-2,4-dione IUPAC Name: 3-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]pentane-2,4-dione Traditional Name: 3-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]pentane-2,4-dione Formula: C9H10F3N3O2S MolecularWeight: 281.25481

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=O)C)SC1=NN=C(N1C)C(F)(F)F

Isomeric SMILES

CC(=O)C(C(=O)C)SC1=NN=C(N1C)C(F)(F)F

InChI

InChI=1S/C9H10F3N3O2S/c1-4(16)6(5(2)17)18-8-14-13-7(15(8)3)9(10,11)12/h6H,1-3H3