5-[2-[4-[[3-butyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]-2H-1,2,3,4-tetrazole

Systemtic Name: 5-[2-[4-[[3-butyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]-2H-1,2,3,4-tetrazole Openeye Name: 5-[2-[4-[[3-butyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]-2H-tetrazole CAS Name: 5-[2-[4-[[3-butyl-5-[(4-nitrophenyl)methylthio]-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]-2H-tetrazole IUPAC Name: 5-[2-[4-[[3-butyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]-2H-tetrazole Traditional Name: 5-[2-[4-[[3-butyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]-2H-tetrazole Formula: C27H26N8O2S MolecularWeight: 526.61274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)SCC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=NN=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)SCC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H26N8O2S/c1-2-3-8-25-28-31-27(38-18-20-11-15-22(16-12-20)35(36)37)34(25)17-19-9-13-21(14-10-19)23-6-4-5-7-24(23)26-29-32-33-30-26/h4-7,9-16H,2-3,8,17-18H2,1H3,(H,29,30,32,33)