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

Systemtic Name: 3-(2-adamantyl)-5-[(3,4-dichlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Openeye Name: 3-(2-adamantyl)-5-[(3,4-dichlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole CAS Name: 3-(2-adamantyl)-5-[(3,4-dichlorophenyl)methylthio]-4-phenyl-1,2,4-triazole IUPAC Name: 3-(2-adamantyl)-5-[(3,4-dichlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-(2-adamantyl)-5-[(3,4-dichlorobenzyl)thio]-4-phenyl-1,2,4-triazole Formula: C25H25Cl2N3S MolecularWeight: 470.4571

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3C4=NN=C(N4C5=CC=CC=C5)SCC6=CC(=C(C=C6)Cl)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)C3C4=NN=C(N4C5=CC=CC=C5)SCC6=CC(=C(C=C6)Cl)Cl

InChI

InChI=1S/C25H25Cl2N3S/c26-21-7-6-15(13-22(21)27)14-31-25-29-28-24(30(25)20-4-2-1-3-5-20)23-18-9-16-8-17(11-18)12-19(23)10-16/h1-7,13,16-19,23H,8-12,14H2