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

Systemtic Name: 2,6-ditert-butyl-4-(3-octadecylsulfanyl-5-piperidin-3-yl-1,2,4-triazol-4-yl)phenol Openeye Name: 2,6-ditert-butyl-4-[3-octadecylsulfanyl-5-(3-piperidyl)-1,2,4-triazol-4-yl]phenol CAS Name: 2,6-ditert-butyl-4-[3-(octadecylthio)-5-(3-piperidinyl)-1,2,4-triazol-4-yl]phenol IUPAC Name: 2,6-ditert-butyl-4-(3-octadecylsulfanyl-5-piperidin-3-yl-1,2,4-triazol-4-yl)phenol Traditional Name: 2,6-ditert-butyl-4-[3-(3-piperidyl)-5-(stearylthio)-1,2,4-triazol-4-yl]phenol Formula: C39H68N4OS MolecularWeight: 641.04842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSC1=NN=C(N1C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C3CCCNC3

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSC1=NN=C(N1C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C3CCCNC3

InChI

InChI=1S/C39H68N4OS/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-45-37-42-41-36(31-25-24-26-40-30-31)43(37)32-28-33(38(2,3)4)35(44)34(29-32)39(5,6)7/h28-29,31,40,44H,8-27,30H2,1-7H3