3-butyl-6-phenyl-4-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazin-5-one

Systemtic Name: 3-butyl-6-phenyl-4-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazin-5-one Openeye Name: 3-butyl-6-phenyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazin-5-one CAS Name: 3-butyl-6-phenyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazin-5-one IUPAC Name: 3-butyl-6-phenyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazin-5-one Traditional Name: 3-butyl-6-phenyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]benzyl]-1,2,4-triazin-5-one Formula: C27H25N7O MolecularWeight: 463.5337

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C5=CC=CC=C5

Isomeric SMILES

CCCCC1=NN=C(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C5=CC=CC=C5

InChI

InChI=1S/C27H25N7O/c1-2-3-13-24-28-29-25(21-9-5-4-6-10-21)27(35)34(24)18-19-14-16-20(17-15-19)22-11-7-8-12-23(22)26-30-32-33-31-26/h4-12,14-17H,2-3,13,18H2,1H3,(H,30,31,32,33)