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

Systemtic Name: 5-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-[[2-(trifluoromethyl)phenyl]methylthio]-1H-1,2,4-triazole IUPAC Name: 5-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-[[2-(trifluoromethyl)benzyl]thio]-1H-1,2,4-triazole Formula: C10H8F3N3S MolecularWeight: 259.25083

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NC=NN2)C(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NC=NN2)C(F)(F)F

InChI

InChI=1S/C10H8F3N3S/c11-10(12,13)8-4-2-1-3-7(8)5-17-9-14-6-15-16-9/h1-4,6H,5H2,(H,14,15,16)