2,6-ditert-butyl-4-(3-octadecylsulfanyl-2-phenyl-1H-1,2,4-triazol-5-ylidene)cyclohexa-2,5-dien-1-one

Systemtic Name: 2,6-ditert-butyl-4-(3-octadecylsulfanyl-2-phenyl-1H-1,2,4-triazol-5-ylidene)cyclohexa-2,5-dien-1-one Openeye Name: 2,6-ditert-butyl-4-(3-octadecylsulfanyl-2-phenyl-1H-1,2,4-triazol-5-ylidene)cyclohexa-2,5-dien-1-one CAS Name: 2,6-ditert-butyl-4-[3-(octadecylthio)-2-phenyl-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 2,6-ditert-butyl-4-(3-octadecylsulfanyl-2-phenyl-1H-1,2,4-triazol-5-ylidene)cyclohexa-2,5-dien-1-one Traditional Name: 2,6-ditert-butyl-4-[2-phenyl-3-(stearylthio)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Formula: C40H63N3OS MolecularWeight: 634.01272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSC1=NC(=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)NN1C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSC1=NC(=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)NN1C3=CC=CC=C3

InChI

InChI=1S/C40H63N3OS/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-29-45-38-41-37(42-43(38)33-27-24-23-25-28-33)32-30-34(39(2,3)4)36(44)35(31-32)40(5,6)7/h23-25,27-28,30-31,42H,8-22,26,29H2,1-7H3