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

Systemtic Name: 5-(5-chloranyl-2-methoxy-phenyl)-3-[(2-fluorophenyl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-(5-chloro-2-methoxy-phenyl)-3-[(2-fluorophenyl)methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-(5-chloro-2-methoxyphenyl)-3-[(2-fluorophenyl)methylthio]-1H-1,2,4-triazole IUPAC Name: 5-(5-chloro-2-methoxyphenyl)-3-[(2-fluorophenyl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-(5-chloro-2-methoxy-phenyl)-3-[(2-fluorobenzyl)thio]-1H-1,2,4-triazole Formula: C16H13ClFN3OS MolecularWeight: 349.810323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C2=NC(=NN2)SCC3=CC=CC=C3F

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C2=NC(=NN2)SCC3=CC=CC=C3F

InChI

InChI=1S/C16H13ClFN3OS/c1-22-14-7-6-11(17)8-12(14)15-19-16(21-20-15)23-9-10-4-2-3-5-13(10)18/h2-8H,9H2,1H3,(H,19,20,21)