3-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-5-(3-fluorophenyl)-4-phenyl-1,2,4-triazole

Systemtic Name: 3-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-5-(3-fluorophenyl)-4-phenyl-1,2,4-triazole Openeye Name: 3-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]-5-(3-fluorophenyl)-4-phenyl-1,2,4-triazole CAS Name: 3-[(3-fluoro-4-methoxyphenyl)methylthio]-5-(3-fluorophenyl)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-5-(3-fluorophenyl)-4-phenyl-1,2,4-triazole Traditional Name: 3-[(3-fluoro-4-methoxy-benzyl)thio]-5-(3-fluorophenyl)-4-phenyl-1,2,4-triazole Formula: C22H17F2N3OS MolecularWeight: 409.451686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC(=CC=C4)F)F

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC(=CC=C4)F)F

InChI

InChI=1S/C22H17F2N3OS/c1-28-20-11-10-15(12-19(20)24)14-29-22-26-25-21(16-6-5-7-17(23)13-16)27(22)18-8-3-2-4-9-18/h2-13H,14H2,1H3