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

Systemtic Name: 3-(5-chloranyl-2-methoxy-phenyl)-4-prop-2-enyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole Openeye Name: 4-allyl-3-(5-chloro-2-methoxy-phenyl)-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole CAS Name: 3-(5-chloro-2-methoxyphenyl)-4-prop-2-enyl-5-[[3-(trifluoromethyl)phenyl]methylthio]-1,2,4-triazole IUPAC Name: 3-(5-chloro-2-methoxyphenyl)-4-prop-2-enyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole Traditional Name: 4-allyl-3-(5-chloro-2-methoxy-phenyl)-5-[[3-(trifluoromethyl)benzyl]thio]-1,2,4-triazole Formula: C20H17ClF3N3OS MolecularWeight: 439.88169

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C2=NN=C(N2CC=C)SCC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C2=NN=C(N2CC=C)SCC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C20H17ClF3N3OS/c1-3-9-27-18(16-11-15(21)7-8-17(16)28-2)25-26-19(27)29-12-13-5-4-6-14(10-13)20(22,23)24/h3-8,10-11H,1,9,12H2,2H3