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

Systemtic Name: 3-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]-5-(4-fluorophenyl)-4-methyl-1,2,4-triazole Openeye Name: 3-[(4-bromo-2-fluoro-phenyl)methylsulfanyl]-5-(4-fluorophenyl)-4-methyl-1,2,4-triazole CAS Name: 3-[(4-bromo-2-fluorophenyl)methylthio]-5-(4-fluorophenyl)-4-methyl-1,2,4-triazole IUPAC Name: 3-[(4-bromo-2-fluorophenyl)methylsulfanyl]-5-(4-fluorophenyl)-4-methyl-1,2,4-triazole Traditional Name: 3-[(4-bromo-2-fluoro-benzyl)thio]-5-(4-fluorophenyl)-4-methyl-1,2,4-triazole Formula: C16H12BrF2N3S MolecularWeight: 396.252386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12BrF2N3S/c1-22-15(10-3-6-13(18)7-4-10)20-21-16(22)23-9-11-2-5-12(17)8-14(11)19/h2-8H,9H2,1H3