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

Systemtic Name: 3-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]-5-(furan-2-yl)-1,2,4-triazol-4-amine Openeye Name: 3-[(4-bromo-2-fluoro-phenyl)methylsulfanyl]-5-(2-furyl)-1,2,4-triazol-4-amine CAS Name: 3-[(4-bromo-2-fluorophenyl)methylthio]-5-(2-furanyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(4-bromo-2-fluorophenyl)methylsulfanyl]-5-(furan-2-yl)-1,2,4-triazol-4-amine Traditional Name: [3-[(4-bromo-2-fluoro-benzyl)thio]-5-(2-furyl)-1,2,4-triazol-4-yl]amine Formula: C13H10BrFN4OS MolecularWeight: 369.212103

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C2=NN=C(N2N)SCC3=C(C=C(C=C3)Br)F

Isomeric SMILES

C1=COC(=C1)C2=NN=C(N2N)SCC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C13H10BrFN4OS/c14-9-4-3-8(10(15)6-9)7-21-13-18-17-12(19(13)16)11-2-1-5-20-11/h1-6H,7,16H2