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

Systemtic Name: 5-phenyl-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-phenyl-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-phenyl-3-[[3-(trifluoromethyl)phenyl]methylthio]-1H-1,2,4-triazole IUPAC Name: 5-phenyl-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-phenyl-3-[[3-(trifluoromethyl)benzyl]thio]-1H-1,2,4-triazole Formula: C16H12F3N3S MolecularWeight: 335.34679

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C16H12F3N3S/c17-16(18,19)13-8-4-5-11(9-13)10-23-15-20-14(21-22-15)12-6-2-1-3-7-12/h1-9H,10H2,(H,20,21,22)