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

Systemtic Name: 3,3-dimethyl-1-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Openeye Name: 3,3-dimethyl-1-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one CAS Name: 3,3-dimethyl-1-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]-2-butanone IUPAC Name: 3,3-dimethyl-1-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Traditional Name: 3,3-dimethyl-1-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]butan-2-one Formula: C10H14F3N3OS MolecularWeight: 281.29787

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14F3N3OS/c1-9(2,3)6(17)5-18-8-15-14-7(16(8)4)10(11,12)13/h5H2,1-4H3