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

Systemtic Name: 5-(4-bromophenyl)-3-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-(4-bromophenyl)-3-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-(4-bromophenyl)-3-[(2-chloro-4-fluorophenyl)methylthio]-1H-1,2,4-triazole IUPAC Name: 5-(4-bromophenyl)-3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-(4-bromophenyl)-3-[(2-chloro-4-fluoro-benzyl)thio]-1H-1,2,4-triazole Formula: C15H10BrClFN3S MolecularWeight: 398.680403

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC(=NN2)SCC3=C(C=C(C=C3)F)Cl)Br

Isomeric SMILES

C1=CC(=CC=C1C2=NC(=NN2)SCC3=C(C=C(C=C3)F)Cl)Br

InChI

InChI=1S/C15H10BrClFN3S/c16-11-4-1-9(2-5-11)14-19-15(21-20-14)22-8-10-3-6-12(18)7-13(10)17/h1-7H,8H2,(H,19,20,21)