3-[(4-bromophenyl)methylsulfanyl]-5-[(4-fluoranylphenoxy)methyl]-1,2,4-triazol-4-amine

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-5-[(4-fluoranylphenoxy)methyl]-1,2,4-triazol-4-amine Openeye Name: 3-[(4-bromophenyl)methylsulfanyl]-5-[(4-fluorophenoxy)methyl]-1,2,4-triazol-4-amine CAS Name: 3-[(4-bromophenyl)methylthio]-5-[(4-fluorophenoxy)methyl]-1,2,4-triazol-4-amine IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-5-[(4-fluorophenoxy)methyl]-1,2,4-triazol-4-amine Traditional Name: [3-[(4-bromobenzyl)thio]-5-[(4-fluorophenoxy)methyl]-1,2,4-triazol-4-yl]amine Formula: C16H14BrFN4OS MolecularWeight: 409.275963

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NN=C(N2N)COC3=CC=C(C=C3)F)Br

Isomeric SMILES

C1=CC(=CC=C1CSC2=NN=C(N2N)COC3=CC=C(C=C3)F)Br

InChI

InChI=1S/C16H14BrFN4OS/c17-12-3-1-11(2-4-12)10-24-16-21-20-15(22(16)19)9-23-14-7-5-13(18)6-8-14/h1-8H,9-10,19H2