3-[(2-bromanyl-4-fluoranyl-phenyl)methylsulfanyl]-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-4-amine

Systemtic Name: 3-[(2-bromanyl-4-fluoranyl-phenyl)methylsulfanyl]-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-4-amine Openeye Name: 3-[(2-bromo-4-fluoro-phenyl)methylsulfanyl]-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-4-amine CAS Name: 3-[(2-bromo-4-fluorophenyl)methylthio]-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-4-amine IUPAC Name: 3-[(2-bromo-4-fluorophenyl)methylsulfanyl]-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-4-amine Traditional Name: [3-[(2-bromo-4-fluoro-benzyl)thio]-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-4-yl]amine Formula: C17H16BrFN4O2S MolecularWeight: 439.301943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)OCC2=NN=C(N2N)SCC3=C(C=C(C=C3)F)Br

Isomeric SMILES

COC1=CC(=CC=C1)OCC2=NN=C(N2N)SCC3=C(C=C(C=C3)F)Br

InChI

InChI=1S/C17H16BrFN4O2S/c1-24-13-3-2-4-14(8-13)25-9-16-21-22-17(23(16)20)26-10-11-5-6-12(19)7-15(11)18/h2-8H,9-10,20H2,1H3