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

Systemtic Name: 3-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazole Openeye Name: 3-[(4-bromo-2-fluoro-phenyl)methylsulfanyl]-4-(2-furylmethyl)-5-phenyl-1,2,4-triazole CAS Name: 3-[(4-bromo-2-fluorophenyl)methylthio]-4-(2-furanylmethyl)-5-phenyl-1,2,4-triazole IUPAC Name: 3-[(4-bromo-2-fluorophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazole Traditional Name: 3-[(4-bromo-2-fluoro-benzyl)thio]-4-(2-furfuryl)-5-phenyl-1,2,4-triazole Formula: C20H15BrFN3OS MolecularWeight: 444.320003

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CO3)SCC4=C(C=C(C=C4)Br)F

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CO3)SCC4=C(C=C(C=C4)Br)F

InChI

InChI=1S/C20H15BrFN3OS/c21-16-9-8-15(18(22)11-16)13-27-20-24-23-19(14-5-2-1-3-6-14)25(20)12-17-7-4-10-26-17/h1-11H,12-13H2