1-[[5-[(3-bromophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]benzotriazole

Systemtic Name: 1-[[5-[(3-bromophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]benzotriazole Openeye Name: 1-[[5-[(3-bromophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]benzotriazole CAS Name: 1-[[5-[(3-bromophenyl)methylthio]-4-phenyl-1,2,4-triazol-3-yl]methyl]benzotriazole IUPAC Name: 1-[[5-[(3-bromophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]benzotriazole Traditional Name: 1-[[5-[(3-bromobenzyl)thio]-4-phenyl-1,2,4-triazol-3-yl]methyl]benzotriazole Formula: C22H17BrN6S MolecularWeight: 477.37958

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=CC=C3)Br)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=CC=C3)Br)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C22H17BrN6S/c23-17-8-6-7-16(13-17)15-30-22-26-25-21(29(22)18-9-2-1-3-10-18)14-28-20-12-5-4-11-19(20)24-27-28/h1-13H,14-15H2