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

Systemtic Name: 3-[(2-bromanyl-4-fluoranyl-phenyl)methylsulfanyl]-5-cyclopropyl-1H-1,2,4-triazole Openeye Name: 3-[(2-bromo-4-fluoro-phenyl)methylsulfanyl]-5-cyclopropyl-1H-1,2,4-triazole CAS Name: 3-[(2-bromo-4-fluorophenyl)methylthio]-5-cyclopropyl-1H-1,2,4-triazole IUPAC Name: 3-[(2-bromo-4-fluorophenyl)methylsulfanyl]-5-cyclopropyl-1H-1,2,4-triazole Traditional Name: 3-[(2-bromo-4-fluoro-benzyl)thio]-5-cyclopropyl-1H-1,2,4-triazole Formula: C12H11BrFN3S MolecularWeight: 328.203243

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=NN2)SCC3=C(C=C(C=C3)F)Br

Isomeric SMILES

C1CC1C2=NC(=NN2)SCC3=C(C=C(C=C3)F)Br

InChI

InChI=1S/C12H11BrFN3S/c13-10-5-9(14)4-3-8(10)6-18-12-15-11(16-17-12)7-1-2-7/h3-5,7H,1-2,6H2,(H,15,16,17)