5-butyl-4-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(3,5,5-trimethylhexyl)-1,2,4-triazol-3-one

Systemtic Name: 5-butyl-4-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(3,5,5-trimethylhexyl)-1,2,4-triazol-3-one Openeye Name: 5-butyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(3,5,5-trimethylhexyl)-1,2,4-triazol-3-one CAS Name: 5-butyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(3,5,5-trimethylhexyl)-1,2,4-triazol-3-one IUPAC Name: 5-butyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(3,5,5-trimethylhexyl)-1,2,4-triazol-3-one Traditional Name: 5-butyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]benzyl]-2-(3,5,5-trimethylhexyl)-1,2,4-triazol-3-one Formula: C29H39N7O MolecularWeight: 501.66626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)CCC(C)CC(C)(C)C

Isomeric SMILES

CCCCC1=NN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)CCC(C)CC(C)(C)C

InChI

InChI=1S/C29H39N7O/c1-6-7-12-26-32-36(18-17-21(2)19-29(3,4)5)28(37)35(26)20-22-13-15-23(16-14-22)24-10-8-9-11-25(24)27-30-33-34-31-27/h8-11,13-16,21H,6-7,12,17-20H2,1-5H3,(H,30,31,33,34)