3-(4-tert-butylphenyl)-4-prop-2-enyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole

Systemtic Name: 3-(4-tert-butylphenyl)-4-prop-2-enyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole Openeye Name: 4-allyl-3-(4-tert-butylphenyl)-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-4-prop-2-enyl-5-[[3-(trifluoromethyl)phenyl]methylthio]-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-4-prop-2-enyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole Traditional Name: 4-allyl-3-(4-tert-butylphenyl)-5-[[3-(trifluoromethyl)benzyl]thio]-1,2,4-triazole Formula: C23H24F3N3S MolecularWeight: 431.51697

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C23H24F3N3S/c1-5-13-29-20(17-9-11-18(12-10-17)22(2,3)4)27-28-21(29)30-15-16-7-6-8-19(14-16)23(24,25)26/h5-12,14H,1,13,15H2,2-4H3