2,6-ditert-butyl-4-[3-octadecylsulfanyl-5-(phenylmethyl)-1,2,4-triazol-4-yl]phenol

Systemtic Name: 2,6-ditert-butyl-4-[3-octadecylsulfanyl-5-(phenylmethyl)-1,2,4-triazol-4-yl]phenol Openeye Name: 4-(3-benzyl-5-octadecylsulfanyl-1,2,4-triazol-4-yl)-2,6-ditert-butyl-phenol CAS Name: 2,6-ditert-butyl-4-[3-(octadecylthio)-5-(phenylmethyl)-1,2,4-triazol-4-yl]phenol IUPAC Name: 4-(3-benzyl-5-octadecylsulfanyl-1,2,4-triazol-4-yl)-2,6-ditert-butylphenol Traditional Name: 4-[3-benzyl-5-(stearylthio)-1,2,4-triazol-4-yl]-2,6-ditert-butyl-phenol Formula: C41H65N3OS MolecularWeight: 648.0393

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSC1=NN=C(N1C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)CC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSC1=NN=C(N1C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)CC3=CC=CC=C3

InChI

InChI=1S/C41H65N3OS/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-29-46-39-43-42-37(30-33-27-24-23-25-28-33)44(39)34-31-35(40(2,3)4)38(45)36(32-34)41(5,6)7/h23-25,27-28,31-32,45H,8-22,26,29-30H2,1-7H3