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

Systemtic Name: 1-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Openeye Name: 1-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one CAS Name: 1-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]-2-propanone IUPAC Name: 1-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Traditional Name: 1-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]acetone Formula: C7H8F3N3OS MolecularWeight: 239.21813

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NN=C(N1C)C(F)(F)F

Isomeric SMILES

CC(=O)CSC1=NN=C(N1C)C(F)(F)F

InChI

InChI=1S/C7H8F3N3OS/c1-4(14)3-15-6-12-11-5(13(6)2)7(8,9)10/h3H2,1-2H3