3-(1-adamantyl)-5-[(4-bromophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole

Systemtic Name: 3-(1-adamantyl)-5-[(4-bromophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Openeye Name: 3-(1-adamantyl)-5-[(4-bromophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole CAS Name: 3-(1-adamantyl)-5-[(4-bromophenyl)methylthio]-4-phenyl-1,2,4-triazole IUPAC Name: 3-(1-adamantyl)-5-[(4-bromophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-(1-adamantyl)-5-[(4-bromobenzyl)thio]-4-phenyl-1,2,4-triazole Formula: C25H26BrN3S MolecularWeight: 480.46304

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NN=C(N4C5=CC=CC=C5)SCC6=CC=C(C=C6)Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NN=C(N4C5=CC=CC=C5)SCC6=CC=C(C=C6)Br

InChI

InChI=1S/C25H26BrN3S/c26-21-8-6-17(7-9-21)16-30-24-28-27-23(29(24)22-4-2-1-3-5-22)25-13-18-10-19(14-25)12-20(11-18)15-25/h1-9,18-20H,10-16H2