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

Systemtic Name: 5-methyl-3-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-methyl-3-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-methyl-3-[[4-(trifluoromethyl)phenyl]methylthio]-1H-1,2,4-triazole IUPAC Name: 5-methyl-3-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-methyl-3-[[4-(trifluoromethyl)benzyl]thio]-1H-1,2,4-triazole Formula: C11H10F3N3S MolecularWeight: 273.27741

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SCC2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CC1=NC(=NN1)SCC2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C11H10F3N3S/c1-7-15-10(17-16-7)18-6-8-2-4-9(5-3-8)11(12,13)14/h2-5H,6H2,1H3,(H,15,16,17)