3-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]-4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazole

Systemtic Name: 3-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]-4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazole Openeye Name: 3-[(4-bromo-2-fluoro-phenyl)methylsulfanyl]-4-methyl-5-(2-methyl-3-furyl)-1,2,4-triazole CAS Name: 3-[(4-bromo-2-fluorophenyl)methylthio]-4-methyl-5-(2-methyl-3-furanyl)-1,2,4-triazole IUPAC Name: 3-[(4-bromo-2-fluorophenyl)methylsulfanyl]-4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazole Traditional Name: 3-[(4-bromo-2-fluoro-benzyl)thio]-4-methyl-5-(2-methyl-3-furyl)-1,2,4-triazole Formula: C15H13BrFN3OS MolecularWeight: 382.250623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2C)SCC3=C(C=C(C=C3)Br)F

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2C)SCC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C15H13BrFN3OS/c1-9-12(5-6-21-9)14-18-19-15(20(14)2)22-8-10-3-4-11(16)7-13(10)17/h3-7H,8H2,1-2H3