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

Systemtic Name: 3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole Openeye Name: 3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-[[3-(trifluoromethyl)phenyl]methylthio]-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole Traditional Name: 3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-[[3-(trifluoromethyl)benzyl]thio]-1,2,4-triazole Formula: C27H26F3N3OS MolecularWeight: 497.57505

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCC4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCC4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C27H26F3N3OS/c1-26(2,3)20-10-8-19(9-11-20)24-31-32-25(33(24)22-12-14-23(34-4)15-13-22)35-17-18-6-5-7-21(16-18)27(28,29)30/h5-16H,17H2,1-4H3