5-[2-[(4-chlorophenyl)-pyridin-2-yl-methyl]piperazin-1-yl]-N-ethyl-N-(2H-1,2,3,4-tetrazol-5-yl)-7-thiabicyclo[4.1.0]hepta-1,3,5-triene-2-carboxamide

Systemtic Name: 5-[2-[(4-chlorophenyl)-pyridin-2-yl-methyl]piperazin-1-yl]-N-ethyl-N-(2H-1,2,3,4-tetrazol-5-yl)-7-thiabicyclo[4.1.0]hepta-1,3,5-triene-2-carboxamide Openeye Name: 5-[2-[(4-chlorophenyl)-(2-pyridyl)methyl]piperazin-1-yl]-N-ethyl-N-(2H-tetrazol-5-yl)-7-thiabicyclo[4.1.0]hepta-1,3,5-triene-2-carboxamide CAS Name: 5-[2-[(4-chlorophenyl)-(2-pyridinyl)methyl]-1-piperazinyl]-N-ethyl-N-(2H-tetrazol-5-yl)-7-thiabicyclo[4.1.0]hepta-1,3,5-triene-2-carboxamide IUPAC Name: 5-[2-[(4-chlorophenyl)-pyridin-2-ylmethyl]piperazin-1-yl]-N-ethyl-N-(2H-tetrazol-5-yl)-7-thiabicyclo[4.1.0]hepta-1,3,5-triene-2-carboxamide Traditional Name: 5-[2-[(4-chlorophenyl)-(2-pyridyl)methyl]piperazino]-N-ethyl-N-(2H-tetrazol-5-yl)-7-thiabicyclo[4.1.0]hepta-1,3,5-triene-2-carboxamide Formula: C26H25ClN8OS MolecularWeight: 533.0477

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=NNN=N1)C(=O)C2=C3C(=C(C=C2)N4CCNCC4C(C5=CC=C(C=C5)Cl)C6=CC=CC=N6)S3

Isomeric SMILES

CCN(C1=NNN=N1)C(=O)C2=C3C(=C(C=C2)N4CCNCC4C(C5=CC=C(C=C5)Cl)C6=CC=CC=N6)S3

InChI

InChI=1S/C26H25ClN8OS/c1-2-34(26-30-32-33-31-26)25(36)18-10-11-20(24-23(18)37-24)35-14-13-28-15-21(35)22(19-5-3-4-12-29-19)16-6-8-17(27)9-7-16/h3-12,21-22,28H,2,13-15H2,1H3,(H,30,31,32,33)