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

Systemtic Name: 3-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole Openeye Name: 3-[(4-bromo-2-fluoro-phenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole CAS Name: 3-[(4-bromo-2-fluorophenyl)methylthio]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole IUPAC Name: 3-[(4-bromo-2-fluorophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole Traditional Name: 3-[(4-bromo-2-fluoro-benzyl)thio]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole Formula: C17H15BrFN3OS MolecularWeight: 408.287903

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=C(C=C(C=C2)Br)F)C3=CC=C(C=C3)OC

Isomeric SMILES

CN1C(=NN=C1SCC2=C(C=C(C=C2)Br)F)C3=CC=C(C=C3)OC

InChI

InChI=1S/C17H15BrFN3OS/c1-22-16(11-4-7-14(23-2)8-5-11)20-21-17(22)24-10-12-3-6-13(18)9-15(12)19/h3-9H,10H2,1-2H3