5-[3-chloranyl-1-[4-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]phenyl]pyrrol-2-yl]-2H-1,2,3,4-tetrazole

Systemtic Name: 5-[3-chloranyl-1-[4-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]phenyl]pyrrol-2-yl]-2H-1,2,3,4-tetrazole Openeye Name: 5-[3-chloro-1-[4-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]phenyl]pyrrol-2-yl]-2H-tetrazole CAS Name: 5-[3-chloro-1-[4-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]phenyl]-2-pyrrolyl]-2H-tetrazole IUPAC Name: 5-[3-chloro-1-[4-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]phenyl]pyrrol-2-yl]-2H-tetrazole Traditional Name: 5-[3-chloro-1-[4-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]phenyl]pyrrol-2-yl]-2H-tetrazole Formula: C22H27ClN8 MolecularWeight: 438.95638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=N1)CCCC)CC2=CC=C(C=C2)N3C=CC(=C3C4=NNN=N4)Cl

Isomeric SMILES

CCCCC1=NN(C(=N1)CCCC)CC2=CC=C(C=C2)N3C=CC(=C3C4=NNN=N4)Cl

InChI

InChI=1S/C22H27ClN8/c1-3-5-7-19-24-20(8-6-4-2)31(27-19)15-16-9-11-17(12-10-16)30-14-13-18(23)21(30)22-25-28-29-26-22/h9-14H,3-8,15H2,1-2H3,(H,25,26,28,29)