3-[9-butyl-16-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]hexadecyl]-5-dodecylsulfanyl-4-phenyl-1,2,4-triazole

Systemtic Name: 3-[9-butyl-16-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]hexadecyl]-5-dodecylsulfanyl-4-phenyl-1,2,4-triazole Openeye Name: 3-[9-butyl-16-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]hexadecyl]-5-dodecylsulfanyl-4-phenyl-1,2,4-triazole CAS Name: 3-[9-butyl-16-[(4-phenyl-1,2,4-triazol-3-yl)thio]hexadecyl]-5-(dodecylthio)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[9-butyl-16-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]hexadecyl]-5-dodecylsulfanyl-4-phenyl-1,2,4-triazole Traditional Name: 3-[9-butyl-16-[(4-phenyl-1,2,4-triazol-3-yl)thio]hexadecyl]-5-(laurylthio)-4-phenyl-1,2,4-triazole Formula: C48H76N6S2 MolecularWeight: 801.28724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1=NN=C(N1C2=CC=CC=C2)CCCCCCCCC(CCCC)CCCCCCCSC3=NN=CN3C4=CC=CC=C4

Isomeric SMILES

CCCCCCCCCCCCSC1=NN=C(N1C2=CC=CC=C2)CCCCCCCCC(CCCC)CCCCCCCSC3=NN=CN3C4=CC=CC=C4

InChI

InChI=1S/C48H76N6S2/c1-3-5-7-8-9-10-11-14-19-31-41-56-48-52-50-46(54(48)45-37-27-22-28-38-45)39-29-18-13-12-16-23-33-43(32-6-4-2)34-24-17-15-20-30-40-55-47-51-49-42-53(47)44-35-25-21-26-36-44/h21-22,25-28,35-38,42-43H,3-20,23-24,29-34,39-41H2,1-2H3