5-[1-[4-[(5-butyl-3-phenethyl-1,2,4-triazol-1-yl)methyl]phenyl]-5-nitro-pyrrol-2-yl]-2H-1,2,3,4-tetrazole

Systemtic Name: 5-[1-[4-[(5-butyl-3-phenethyl-1,2,4-triazol-1-yl)methyl]phenyl]-5-nitro-pyrrol-2-yl]-2H-1,2,3,4-tetrazole Openeye Name: 5-[1-[4-[(5-butyl-3-phenethyl-1,2,4-triazol-1-yl)methyl]phenyl]-5-nitro-pyrrol-2-yl]-2H-tetrazole CAS Name: 5-[1-[4-[(5-butyl-3-phenethyl-1,2,4-triazol-1-yl)methyl]phenyl]-5-nitro-2-pyrrolyl]-2H-tetrazole IUPAC Name: 5-[1-[4-[(5-butyl-3-phenethyl-1,2,4-triazol-1-yl)methyl]phenyl]-5-nitropyrrol-2-yl]-2H-tetrazole Traditional Name: 5-[1-[4-[(5-butyl-3-phenethyl-1,2,4-triazol-1-yl)methyl]phenyl]-5-nitro-pyrrol-2-yl]-2H-tetrazole Formula: C26H27N9O2 MolecularWeight: 497.55168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NN1CC2=CC=C(C=C2)N3C(=CC=C3[N+](=O)[O-])C4=NNN=N4)CCC5=CC=CC=C5

Isomeric SMILES

CCCCC1=NC(=NN1CC2=CC=C(C=C2)N3C(=CC=C3[N+](=O)[O-])C4=NNN=N4)CCC5=CC=CC=C5

InChI

InChI=1S/C26H27N9O2/c1-2-3-9-24-27-23(16-12-19-7-5-4-6-8-19)30-33(24)18-20-10-13-21(14-11-20)34-22(26-28-31-32-29-26)15-17-25(34)35(36)37/h4-8,10-11,13-15,17H,2-3,9,12,16,18H2,1H3,(H,28,29,31,32)