5,5-dimethyl-3-methylsulfanyl-2-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole

Systemtic Name: 5,5-dimethyl-3-methylsulfanyl-2-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole Openeye Name: 5,5-dimethyl-3-methylsulfanyl-2-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole CAS Name: 5,5-dimethyl-3-(methylthio)-2-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole IUPAC Name: 5,5-dimethyl-3-methylsulfanyl-2-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole Traditional Name: 5,5-dimethyl-3-(methylthio)-2-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole Formula: C12H14F3N3S MolecularWeight: 289.31987

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Descriptors Computed from Structure

Canonical SMILES:

CC1(NN(C(=N1)SC)C2=CC=CC(=C2)C(F)(F)F)C

Isomeric SMILES

CC1(NN(C(=N1)SC)C2=CC=CC(=C2)C(F)(F)F)C

InChI

InChI=1S/C12H14F3N3S/c1-11(2)16-10(19-3)18(17-11)9-6-4-5-8(7-9)12(13,14)15/h4-7,17H,1-3H3