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

Systemtic Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide CAS Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide Formula: C25H24F6N4OS MolecularWeight: 542.539679

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)SCC(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C25H24F6N4OS/c1-5-10-35-21(15-6-8-16(9-7-15)23(2,3)4)33-34-22(35)37-14-20(36)32-19-12-17(24(26,27)28)11-18(13-19)25(29,30)31/h5-9,11-13H,1,10,14H2,2-4H3,(H,32,36)