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

Systemtic Name: 3-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]-5-(4-methylphenyl)-1H-1,2,4-triazole Openeye Name: 3-[(4-bromo-2-fluoro-phenyl)methylsulfanyl]-5-(p-tolyl)-1H-1,2,4-triazole CAS Name: 3-[(4-bromo-2-fluorophenyl)methylthio]-5-(4-methylphenyl)-1H-1,2,4-triazole IUPAC Name: 3-[(4-bromo-2-fluorophenyl)methylsulfanyl]-5-(4-methylphenyl)-1H-1,2,4-triazole Traditional Name: 3-[(4-bromo-2-fluoro-benzyl)thio]-5-(p-tolyl)-1H-1,2,4-triazole Formula: C16H13BrFN3S MolecularWeight: 378.261923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NN2)SCC3=C(C=C(C=C3)Br)F

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2)SCC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C16H13BrFN3S/c1-10-2-4-11(5-3-10)15-19-16(21-20-15)22-9-12-6-7-13(17)8-14(12)18/h2-8H,9H2,1H3,(H,19,20,21)