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

Systemtic Name: 2-[5-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine Openeye Name: 2-[5-[(4-bromo-2-fluoro-phenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine CAS Name: 2-[5-[(4-bromo-2-fluorophenyl)methylthio]-4-phenyl-1,2,4-triazol-3-yl]pyridine IUPAC Name: 2-[5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine Traditional Name: 2-[5-[(4-bromo-2-fluoro-benzyl)thio]-4-phenyl-1,2,4-triazol-3-yl]pyridine Formula: C20H14BrFN4S MolecularWeight: 441.319363

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC3=C(C=C(C=C3)Br)F)C4=CC=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC3=C(C=C(C=C3)Br)F)C4=CC=CC=N4

InChI

InChI=1S/C20H14BrFN4S/c21-15-10-9-14(17(22)12-15)13-27-20-25-24-19(18-8-4-5-11-23-18)26(20)16-6-2-1-3-7-16/h1-12H,13H2