5-[1-[4-[(5-butyl-3-phenethyl-1,2,4-triazol-1-yl)methyl]phenyl]-3-methyl-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]-3-methyl-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]-3-methyl-pyrrol-2-yl]-2H-tetrazole CAS Name: 5-[1-[4-[(5-butyl-3-phenethyl-1,2,4-triazol-1-yl)methyl]phenyl]-3-methyl-2-pyrrolyl]-2H-tetrazole IUPAC Name: 5-[1-[4-[(5-butyl-3-phenethyl-1,2,4-triazol-1-yl)methyl]phenyl]-3-methylpyrrol-2-yl]-2H-tetrazole Traditional Name: 5-[1-[4-[(5-butyl-3-phenethyl-1,2,4-triazol-1-yl)methyl]phenyl]-3-methyl-pyrrol-2-yl]-2H-tetrazole Formula: C27H30N8 MolecularWeight: 466.5807

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NN1CC2=CC=C(C=C2)N3C=CC(=C3C4=NNN=N4)C)CCC5=CC=CC=C5

Isomeric SMILES

CCCCC1=NC(=NN1CC2=CC=C(C=C2)N3C=CC(=C3C4=NNN=N4)C)CCC5=CC=CC=C5

InChI

InChI=1S/C27H30N8/c1-3-4-10-25-28-24(16-13-21-8-6-5-7-9-21)31-35(25)19-22-11-14-23(15-12-22)34-18-17-20(2)26(34)27-29-32-33-30-27/h5-9,11-12,14-15,17-18H,3-4,10,13,16,19H2,1-2H3,(H,29,30,32,33)