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

Systemtic Name: 3-[2-(4-bromanylphenoxy)ethylsulfanyl]-5-(3-fluorophenyl)-1,2,4-triazol-4-amine Openeye Name: 3-[2-(4-bromophenoxy)ethylsulfanyl]-5-(3-fluorophenyl)-1,2,4-triazol-4-amine CAS Name: 3-[2-(4-bromophenoxy)ethylthio]-5-(3-fluorophenyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[2-(4-bromophenoxy)ethylsulfanyl]-5-(3-fluorophenyl)-1,2,4-triazol-4-amine Traditional Name: [3-[2-(4-bromophenoxy)ethylthio]-5-(3-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(=CC(=C1)F)C2=NN=C(N2N)SCCOC3=CC=C(C=C3)Br

Isomeric SMILES

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

InChI

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