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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C2=NC(=NN2)SCC3=CC=C(C=C3)F

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C2=NC(=NN2)SCC3=CC=C(C=C3)F

InChI

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