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

Systemtic Name: 3-[2-(3-bromanylphenoxy)ethylsulfanyl]-5-(2-fluorophenyl)-1,2,4-triazol-4-amine Openeye Name: 3-[2-(3-bromophenoxy)ethylsulfanyl]-5-(2-fluorophenyl)-1,2,4-triazol-4-amine CAS Name: 3-[2-(3-bromophenoxy)ethylthio]-5-(2-fluorophenyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[2-(3-bromophenoxy)ethylsulfanyl]-5-(2-fluorophenyl)-1,2,4-triazol-4-amine Traditional Name: [3-[2-(3-bromophenoxy)ethylthio]-5-(2-fluorophenyl)-1,2,4-triazol-4-yl]amine Formula: C16H14BrFN4OS MolecularWeight: 409.275963

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NN=C(N2N)SCCOC3=CC(=CC=C3)Br)F

Isomeric SMILES

C1=CC=C(C(=C1)C2=NN=C(N2N)SCCOC3=CC(=CC=C3)Br)F

InChI

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