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

Systemtic Name: 3-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]-5-(2-fluorophenyl)-4-methyl-1,2,4-triazole Openeye Name: 3-[(4-bromo-2-fluoro-phenyl)methylsulfanyl]-5-(2-fluorophenyl)-4-methyl-1,2,4-triazole CAS Name: 3-[(4-bromo-2-fluorophenyl)methylthio]-5-(2-fluorophenyl)-4-methyl-1,2,4-triazole IUPAC Name: 3-[(4-bromo-2-fluorophenyl)methylsulfanyl]-5-(2-fluorophenyl)-4-methyl-1,2,4-triazole Traditional Name: 3-[(4-bromo-2-fluoro-benzyl)thio]-5-(2-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=CC=C3F

Isomeric SMILES

CN1C(=NN=C1SCC2=C(C=C(C=C2)Br)F)C3=CC=CC=C3F

InChI

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