3-[(4-bromanylphenoxy)methyl]-4-phenyl-5-(phenylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 3-[(4-bromanylphenoxy)methyl]-4-phenyl-5-(phenylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-5-[(4-bromophenoxy)methyl]-4-phenyl-1,2,4-triazole CAS Name: 3-[(4-bromophenoxy)methyl]-4-phenyl-5-(phenylmethylthio)-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-5-[(4-bromophenoxy)methyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-(benzylthio)-5-[(4-bromophenoxy)methyl]-4-phenyl-1,2,4-triazole Formula: C22H18BrN3OS MolecularWeight: 452.36682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)COC4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)COC4=CC=C(C=C4)Br

InChI

InChI=1S/C22H18BrN3OS/c23-18-11-13-20(14-12-18)27-15-21-24-25-22(26(21)19-9-5-2-6-10-19)28-16-17-7-3-1-4-8-17/h1-14H,15-16H2