3-[(3-bromanylphenoxy)methyl]-5-[(3-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine

Systemtic Name: 3-[(3-bromanylphenoxy)methyl]-5-[(3-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-[(3-bromophenoxy)methyl]-5-[(3-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-[(3-bromophenoxy)methyl]-5-[(3-fluorophenyl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-[(3-bromophenoxy)methyl]-5-[(3-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-[(3-bromophenoxy)methyl]-5-[(3-fluorobenzyl)thio]-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(=C1)F)CSC2=NN=C(N2N)COC3=CC(=CC=C3)Br

Isomeric SMILES

C1=CC(=CC(=C1)F)CSC2=NN=C(N2N)COC3=CC(=CC=C3)Br

InChI

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