2-[[5-(4-tert-butylphenyl)-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-[[5-(4-tert-butylphenyl)-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[[5-(4-tert-butylphenyl)-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[[5-(4-tert-butylphenyl)-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]thio]-N-[3-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[[5-(4-tert-butylphenyl)-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[[5-(4-tert-butylphenyl)-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]thio]-N-[3-(trifluoromethyl)phenyl]acetamide Formula: C27H24ClF3N4OS MolecularWeight: 545.01887

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC(=O)NC4=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)Cl)SCC(=O)NC4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C27H24ClF3N4OS/c1-26(2,3)18-9-7-17(8-10-18)24-33-34-25(35(24)22-13-11-20(28)12-14-22)37-16-23(36)32-21-6-4-5-19(15-21)27(29,30)31/h4-15H,16H2,1-3H3,(H,32,36)