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

Systemtic Name: 5-(4-bromophenyl)-3-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-(4-bromophenyl)-3-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-(4-bromophenyl)-3-[(3-fluoro-4-methoxyphenyl)methylthio]-1H-1,2,4-triazole IUPAC Name: 5-(4-bromophenyl)-3-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-(4-bromophenyl)-3-[(3-fluoro-4-methoxy-benzyl)thio]-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)CSC2=NNC(=N2)C3=CC=C(C=C3)Br)F

Isomeric SMILES

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

InChI

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