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

Systemtic Name: 3-(2-adamantyl)-5-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Openeye Name: 3-(2-adamantyl)-5-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole CAS Name: 3-(2-adamantyl)-5-[(4-nitrophenyl)methylthio]-4-phenyl-1,2,4-triazole IUPAC Name: 3-(2-adamantyl)-5-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-(2-adamantyl)-5-[(4-nitrobenzyl)thio]-4-phenyl-1,2,4-triazole Formula: C25H26N4O2S MolecularWeight: 446.56454

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3C4=NN=C(N4C5=CC=CC=C5)SCC6=CC=C(C=C6)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)C3C4=NN=C(N4C5=CC=CC=C5)SCC6=CC=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C25H26N4O2S/c30-29(31)22-8-6-16(7-9-22)15-32-25-27-26-24(28(25)21-4-2-1-3-5-21)23-19-11-17-10-18(13-19)14-20(23)12-17/h1-9,17-20,23H,10-15H2