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

Systemtic Name: 3-[4-[(2-butyl-5-phenethyl-1,2,4-triazol-3-yl)methyl]phenyl]-2-(2H-1,2,3,4-tetrazol-5-yl)pyridine Openeye Name: 3-[4-[(2-butyl-5-phenethyl-1,2,4-triazol-3-yl)methyl]phenyl]-2-(2H-tetrazol-5-yl)pyridine CAS Name: 3-[4-[(2-butyl-5-phenethyl-1,2,4-triazol-3-yl)methyl]phenyl]-2-(2H-tetrazol-5-yl)pyridine IUPAC Name: 3-[4-[(2-butyl-5-phenethyl-1,2,4-triazol-3-yl)methyl]phenyl]-2-(2H-tetrazol-5-yl)pyridine Traditional Name: 3-[4-[(2-butyl-5-phenethyl-1,2,4-triazol-3-yl)methyl]phenyl]-2-(2H-tetrazol-5-yl)pyridine Formula: C27H28N8 MolecularWeight: 464.56482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC(=N1)CCC2=CC=CC=C2)CC3=CC=C(C=C3)C4=C(N=CC=C4)C5=NNN=N5

Isomeric SMILES

CCCCN1C(=NC(=N1)CCC2=CC=CC=C2)CC3=CC=C(C=C3)C4=C(N=CC=C4)C5=NNN=N5

InChI

InChI=1S/C27H28N8/c1-2-3-18-35-25(29-24(32-35)16-13-20-8-5-4-6-9-20)19-21-11-14-22(15-12-21)23-10-7-17-28-26(23)27-30-33-34-31-27/h4-12,14-15,17H,2-3,13,16,18-19H2,1H3,(H,30,31,33,34)