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

Systemtic Name: 3-(4-methoxyphenyl)-4-phenethyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole Openeye Name: 3-(4-methoxyphenyl)-4-phenethyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole CAS Name: 3-(4-methoxyphenyl)-4-phenethyl-5-[[3-(trifluoromethyl)phenyl]methylthio]-1,2,4-triazole IUPAC Name: 3-(4-methoxyphenyl)-4-phenethyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole Traditional Name: 3-(4-methoxyphenyl)-4-phenethyl-5-[[3-(trifluoromethyl)benzyl]thio]-1,2,4-triazole Formula: C25H22F3N3OS MolecularWeight: 469.52189

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2CCC3=CC=CC=C3)SCC4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2CCC3=CC=CC=C3)SCC4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C25H22F3N3OS/c1-32-22-12-10-20(11-13-22)23-29-30-24(31(23)15-14-18-6-3-2-4-7-18)33-17-19-8-5-9-21(16-19)25(26,27)28/h2-13,16H,14-15,17H2,1H3