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

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

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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)Cl)Cl

Isomeric SMILES

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

InChI

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