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

Systemtic Name: 4-methyl-3-(trifluoromethyl)-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole Openeye Name: 4-methyl-3-(trifluoromethyl)-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole CAS Name: 4-methyl-3-(trifluoromethyl)-5-[[4-(trifluoromethyl)phenyl]methylthio]-1,2,4-triazole IUPAC Name: 4-methyl-3-(trifluoromethyl)-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole Traditional Name: 4-methyl-3-(trifluoromethyl)-5-[[4-(trifluoromethyl)benzyl]thio]-1,2,4-triazole Formula: C12H9F6N3S MolecularWeight: 341.275379

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(C=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(C=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C12H9F6N3S/c1-21-9(12(16,17)18)19-20-10(21)22-6-7-2-4-8(5-3-7)11(13,14)15/h2-5H,6H2,1H3