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

Systemtic Name: 3-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-5-(2-fluorophenyl)-1H-1,2,4-triazole Openeye Name: 3-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]-5-(2-fluorophenyl)-1H-1,2,4-triazole CAS Name: 3-[(5-bromo-2-methoxyphenyl)methylthio]-5-(2-fluorophenyl)-1H-1,2,4-triazole IUPAC Name: 3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-5-(2-fluorophenyl)-1H-1,2,4-triazole Traditional Name: 3-[(5-bromo-2-methoxy-benzyl)thio]-5-(2-fluorophenyl)-1H-1,2,4-triazole Formula: C16H13BrFN3OS MolecularWeight: 394.261323

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CSC2=NNC(=N2)C3=CC=CC=C3F

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CSC2=NNC(=N2)C3=CC=CC=C3F

InChI

InChI=1S/C16H13BrFN3OS/c1-22-14-7-6-11(17)8-10(14)9-23-16-19-15(20-21-16)12-4-2-3-5-13(12)18/h2-8H,9H2,1H3,(H,19,20,21)