3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole

Systemtic Name: 3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole Openeye Name: 3-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole CAS Name: 3-[(2-chloro-6-fluorophenyl)methylthio]-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole Traditional Name: 3-[(2-chloro-6-fluoro-benzyl)thio]-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole Formula: C22H17ClFN3OS MolecularWeight: 425.906283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=C(C=CC=C4Cl)F

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C22H17ClFN3OS/c1-28-17-12-10-15(11-13-17)21-25-26-22(27(21)16-6-3-2-4-7-16)29-14-18-19(23)8-5-9-20(18)24/h2-13H,14H2,1H3