3-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]-5-(4-ethylphenyl)-1H-1,2,4-triazole

Systemtic Name: 3-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]-5-(4-ethylphenyl)-1H-1,2,4-triazole Openeye Name: 3-[(4-bromo-2-fluoro-phenyl)methylsulfanyl]-5-(4-ethylphenyl)-1H-1,2,4-triazole CAS Name: 3-[(4-bromo-2-fluorophenyl)methylthio]-5-(4-ethylphenyl)-1H-1,2,4-triazole IUPAC Name: 3-[(4-bromo-2-fluorophenyl)methylsulfanyl]-5-(4-ethylphenyl)-1H-1,2,4-triazole Traditional Name: 3-[(4-bromo-2-fluoro-benzyl)thio]-5-(4-ethylphenyl)-1H-1,2,4-triazole Formula: C17H15BrFN3S MolecularWeight: 392.288503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC3=C(C=C(C=C3)Br)F

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C17H15BrFN3S/c1-2-11-3-5-12(6-4-11)16-20-17(22-21-16)23-10-13-7-8-14(18)9-15(13)19/h3-9H,2,10H2,1H3,(H,20,21,22)