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

Systemtic Name: 3-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]-5-(furan-2-yl)-4-methyl-1,2,4-triazole Openeye Name: 3-[(4-bromo-2-fluoro-phenyl)methylsulfanyl]-5-(2-furyl)-4-methyl-1,2,4-triazole CAS Name: 3-[(4-bromo-2-fluorophenyl)methylthio]-5-(2-furanyl)-4-methyl-1,2,4-triazole IUPAC Name: 3-[(4-bromo-2-fluorophenyl)methylsulfanyl]-5-(furan-2-yl)-4-methyl-1,2,4-triazole Traditional Name: 3-[(4-bromo-2-fluoro-benzyl)thio]-5-(2-furyl)-4-methyl-1,2,4-triazole Formula: C14H11BrFN3OS MolecularWeight: 368.224043

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=C(C=C(C=C2)Br)F)C3=CC=CO3

Isomeric SMILES

CN1C(=NN=C1SCC2=C(C=C(C=C2)Br)F)C3=CC=CO3

InChI

InChI=1S/C14H11BrFN3OS/c1-19-13(12-3-2-6-20-12)17-18-14(19)21-8-9-4-5-10(15)7-11(9)16/h2-7H,8H2,1H3